Following deviation is too large ошибка


Robot Grinding Simulation

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    • #1

    I’m running a LIN movement that was generated in RoboDK and getting the same error each time: «Precision Robot: Model Deviation too large».

    I’m not able to find this error anywhere in the error manual or elsewhere online. Does anyone have some idea of what this error means and how to resolve?

  • Jump to the most helpful post

    • #2

    Post your code and point value. Is your robot HA or ABS?

    • #3

    I believe the robot is neither HA or ABS. It’s a KR 200-3 COMP. I think it might be a TCP issue though I’m not sure. Joint movements work fine but LIN movements get this issue.

    SRC code:

    &ACCESS RVP
    &REL 1
    &PARAM TEMPLATE = C:\KRC\Roboter\Template\vorgabe
    &PARAM EDITMASK = *
    DEF flatcnctest1 ( )

    ;FOLD INI
    BAS (#INITMOV,0 )
    ;ENDFOLD (INI)

    ;FOLD STARTPOS
    $BWDSTART = FALSE
    PDAT_ACT = PDEFAULT
    BAS(#PTP_DAT)
    FDAT_ACT = {TOOL_NO 0,BASE_NO 0,IPO_FRAME #BASE}
    BAS(#FRAMES)
    ;ENDFOLD

    ;FOLD SET DEFAULT SPEED
    $VEL.CP=0.2
    BAS(#VEL_PTP,100)
    BAS(#TOOL,0)
    BAS(#BASE,0)
    ;ENDFOLD

    $ADVANCE = 5

    PTP $AXIS_ACT ; skip BCO quickly

    ; Program generated by RoboDK v5.4.1 for KUKA KR 140 comp on 14/07/2022 01:30:06
    ; Using nominal kinematics.
    $APO.CPTP = 1.000
    $APO.CDIS = 1.000
    $ACC.ORI1 = 1000.00000
    $ACC.ORI2 = 1000.00000
    $VEL.ORI1 = 90.00000
    $VEL.ORI2 = 90.00000
    $ACC.CP = 1.00000
    BASE_DATA[2] = {FRAME: X 1240.000,Y 70.000,Z 1075.000,A 0.000,B 0.000,C 0.000}
    TOOL_DATA[1] = {FRAME: X -54.000,Y 0.000,Z 628.500,A 0.000,B -45.000,C 0.000}
    ; Show EndEffectorCombined
    ;FOLD PTP P1 CONT Vel=100 % PDAT1 Tool[1] Base[2];%{PE}%R 5.5.31,%MKUKATPBASIS,%CMOVE,%VPTP,%P 1:PTP, 2:P1, 3:C_PTP, 5:100, 7:PDAT1
    $BWDSTART=FALSE
    PDAT_ACT=PPDAT1
    FDAT_ACT=FP1
    BAS(#PTP_PARAMS,100)
    PTP XP1 C_PTP
    ;ENDFOLD
    ;FOLD LIN P2 CONT Vel=0.500 m/s CPDAT2 Tool[1] Base[2];%{PE}%R 5.5.0,%MKUKATPA20,%CARC_SWI,%VLIN,%P 1:LIN, 2:P2, 3:C_DIS, 5:0, 7:CPDAT2
    $BWDSTART=FALSE
    LDAT_ACT=LCPDAT2
    FDAT_ACT=FP2
    BAS(#CP_PARAMS,0.25)
    LIN XP2 C_DIS
    ;ENDFOLD
    ;FOLD LIN P3 CONT Vel=0.500 m/s CPDAT3 Tool[1] Base[2];%{PE}%R 5.5.0,%MKUKATPA20,%CARC_SWI,%VLIN,%P 1:LIN, 2:P3, 3:C_DIS, 5:0, 7:CPDAT3
    $BWDSTART=FALSE
    LDAT_ACT=LCPDAT3
    FDAT_ACT=FP3
    BAS(#CP_PARAMS,0.25)
    LIN XP3 C_DIS
    ;ENDFOLD

    ….

    DAT code:

    &ACCESS RVP
    &REL 1
    &COMMENT Generated by RoboDK
    &PARAM TEMPLATE = C:\KRC\Roboter\Template\vorgabe
    &PARAM EDITMASK = *
    DEFDAT flatcnctest1

    EXT BAS (BAS_COMMAND :IN,REAL :IN )

    DECL E6AXIS XP1={A1 5.82789,A2 -87.75860,A3 84.49660,A4 -44.05300,A5 83.76450,A6 -100.96500}
    DECL FDAT FP1={TOOL_NO 1,BASE_NO 2,IPO_FRAME #BASE,POINT2[] » «,TQ_STATE FALSE}
    DECL PDAT PPDAT1={VEL 100.000,ACC 100.000,APO_DIST 1.000,APO_MODE #CPTP}
    DECL E6POS XP2={X 316.230,Y 316.230,Z 5.080,A 72.000,B 0.000,C -180.000}
    DECL FDAT FP2={TOOL_NO 1,BASE_NO 2,IPO_FRAME #BASE,POINT2[] » «,TQ_STATE FALSE}
    DECL LDAT LCPDAT2={VEL 0.50000,ACC 100.000,APO_DIST 1.000,APO_FAC 50.0000,ORI_TYP #BASE,CIRC_TYP #BASE,JERK_FAC 50.0000}

    • #4

    I have been contending with the same issue, were you able to resolve this?

    • #5

    This is an absolute accuracy issue. Deviation between non absolute accuracy transformation and absolute accuracy is too high. This is an intentional check to discover meddling with absolute accuracy files. This can happen e.g. if a absolute accuracy robot is mounted on ceiling or wall. Since absolute accuracy model is depending on gravity direction when its created you can not flip/tilt absolute accuracy robots.

    To check you could deactivate absolute accuracy for testing purposes and see if problem disappears. How you can deactivate absolute accuracy is dependant on KSS release. Information you did not give. But its explained in this forum just need to use search function to find it.

    Fubini

    • #6

    I appreciate your response above, and I should elaborate on my issue and perhaps you might be able to help me better understand the problem. My robot came from a car assembly line, and I am currently in the process of setting it up for large scale 3D printing. I am trying to do some initial path planning/testing, and have generated code using Kuka PRC. However, when I attempt to use LIN moves, I am receiving the error ‘Precision Robot: Model deviation too large’. I have successfully run KRL that is comprised only of PTP moves, in T1 and Auto, but I am stumped with what to change to have it successfully run LIN moves. At this point I am not sure if I am missing something quite simple in the process or if it is beyond my experience. I have many years of running KRC4 robots, but this is my first KRC2, so I am still learning my way around the differences.

    I have a KR-200 3 comp robot, and a KRC2 ed05 cabinet, KSS 5.6.10

    The robot is floor mounted, and it is not a wall or ceiling mounted design. It is labeled ‘Absolutevermessen’

    I am not sure that I understand how to change or adjust absolute accuracy — I did read through the thread: Absolute Accuracy Info KRC2 — KRC4 — but it seems that absolute accuracy has to be explicitly turned on for a KRC2 controller??

    Below is the error message:

    The code I am using is below. I am copying it out of my text editor as it has been generated from Kuka PRC:

    &ACCESS RVP

    &REL 1

    &PARAM TEMPLATE = C:\KRC\Roboter\Template\vorgabe

    &PARAM EDITMASK = *

    DEF test90 ( )

    ;FOLD INI

    ;FOLD BASISTECH INI

    GLOBAL INTERRUPT DECL 3 WHEN $STOPMESS==TRUE DO IR_STOPM ( )

    INTERRUPT ON 3

    BAS (#INITMOV,0 )

    ;ENDFOLD (BASISTECH INI)

    ;ENDFOLD (INI)

    ;FOLD STARTPOSITION — BASE IS 0, TOOL IS 0, SPEED IS 100%, POSITION IS A1 45,A2 -120,A3 110,A4 -80,A5 20,A6 80,E1 0,E2 0,E3 0,E4 0

    $BWDSTART = FALSE

    PDAT_ACT = {VEL 100,ACC 100,APO_DIST 50}

    BAS(#PTP_DAT)

    FDAT_ACT = {TOOL_NO 0,BASE_NO 0,IPO_FRAME #BASE}

    BAS (#FRAMES)

    BAS (#VEL_PTP,100)

    PTP {A1 45,A2 -120,A3 110,A4 -80,A5 20,A6 80,E1 0,E2 0,E3 0,E4 0}

    ;ENDFOLD

    ;FOLD LIN SPEED IS 0.1 m/sec, INTERPOLATION SETTINGS IN FOLD

    $VEL.CP=0.1

    $ORI_TYPE = #VAR

    $APO.CDIS=1

    $ADVANCE=3

    ;ENDFOLD

    LIN {X 1118.565, Y -1041.747, Z 1627.273, A 0, B 90, C 0, E1 0, E2 0, E3 0, E4 0} C_DIS

    LIN {X 1118.565, Y -966.747, Z 1627.273, A 0, B 90, C 0, E1 0, E2 0, E3 0, E4 0} C_DIS

    LIN {X 1118.565, Y -891.747, Z 1627.273, A 0, B 90, C 0, E1 0, E2 0, E3 0, E4 0} C_DIS

    LIN {X 1118.565, Y -816.747, Z 1627.273, A 0, B 90, C 0, E1 0, E2 0, E3 0, E4 0} C_DIS

    LIN {X 1118.565, Y -741.747, Z 1627.273, A 0, B 90, C 0, E1 0, E2 0, E3 0, E4 0} C_DIS

    PTP {A1 45, A2 -120, A3 110, A4 -80, A5 20, A6 80, E1 0, E2 0, E3 0, E4 0} C_PTP

    END

    Thank you all for your help!

    • #7

    Yes on KRC2 its active if $abs_accur is set to true. This variable is persistent so it stays true even after cold boot. So is it true on your machine? If so you could just for testing purposes set it to false and see if you no longer get the message.

    Btw its not surprising you see it only in lin moves. For a ptp only once a absolute accuracy trafo needs to be calculated to transform cartesian target position into an axis position. For lin its different and you need an absolute accuracy backward transformation every 10 ms along the path to calculate the necessary axis position along the line. So according to probability laws chances are higher in lin.

    Apart from mounting the biggest source of bad absolute accuracy is lousy load data. Is your load data set correct?

    Fubini

    • #8

    And also contact KUKA with robot serial number according to name plate and ask for the original pid file for your robot and install it. Maybe it was modified in the past. Some car manufacturers e.g. Daimler create their own pid files or change serial numbers freely and then use pid files from a originally different robot. These not really supported use cases exist out there even though KUKA is not very fond of them because you often loose a clear history for your robot and you never know what exactly you have in front of you. Unfortunatly such tweakings where much easier on krc2 generation robots than now with krc4 robots.

    Do you have pid or xpid as absolute accuracy? In late krc 5.x releases this was an option. In 8.x only the newer and better xpid is available.

    Fubini

    • #9

    Fubini — thank you so much for your help.

    Let me start by responding to your first message:

    Yes on KRC2 its active if $abs_accur is set to true. This variable is persistent so it stays true even after cold boot. So is it true on your machine? If so you could just for testing purposes set it to false and see if you no longer get the message.

    When I check the variable through the HMI, I can see that it is in fact set to True. However I was not able to overwrite this to False, either by changing the value on the pendant manually (variables<single) or by setting it to False as a line in my KRL. The controller responds with the message that the variable is write protected in both cases.

    Perhaps I am not setting the value to False in the correct manner?

    Apart from mounting the biggest source of bad absolute accuracy is lousy load data. Is your load data set correct?

    Fubini

    I do have the load data calculated — I used the Load Data Determination routine to calculate the mass, moment of inertia, etc.. The tool is stoutly bolted to the flange, and at 45kg is less than a quarter of the rated load. The tool has been taught properly and moves around its TCP as expected. So hopefully we can rule that out as a source of the issue.

    And also contact KUKA with robot serial number according to name plate and ask for the original pid file for your robot and install it. Maybe it was modified in the past. Some car manufacturers e.g. Daimler create their own pid files or change serial numbers freely and then use pid files from a originally different robot. These not really supported use cases exist out there even though KUKA is not very fond of them because you often loose a clear history for your robot and you never know what exactly you have in front of you. Unfortunatly such tweakings where much easier on krc2 generation robots than now with krc4 robots.

    Do you have pid or xpid as absolute accuracy? In late krc 5.x releases this was an option. In 8.x only the newer and better xpid is available.

    Fubini

    So, I have located the pid files in the archive that I pulled, and the serial numbers listed definitely do not match that on my robot arm. I do believe that this arm came out of a Daimler production line, so your assessment is likely correct. However, I do not see the $abs_accur variable declared in any of these files. Should I be expecting to see it declared as $ABS_ACCUR=TRUE or is this set through a different means?

    I’ve given Kuka a call and have a case started, so ill see what they may be able to help me with. Thank you again for your help today — if you have any other suggestions, they will be greatly appreciated.

    • #10

    take a picture of the robot label. also if it is absolute robot (HA or ABS) it is likely to have another smaller label «Absolut vermessen». Sometimes robots are measured in field and that extra label may not be there. if the robot serial number and PID file do not match something is wrong…

    don’t recall details but if my memory is still good there is a function to deactivate absolute model by removing PID file from RDC (along with CHECKPIDONRDC and PIDTOHD). don’t have things at hand but would say ask KUKA or check Xpert.

    • #11

    Thank you for the input.

    The robot is in fact labeled «Absolutvermessen» — and the serial number listed does not match the serial number in the PID file or the serial number listed in the Robot Data on the HMI (however these serial numbers are the same). I apologize as I should have noticed the discrepancy in the Robot data sooner.

    Does the PID file provide the serial number to the controller?

    I contacted Kuka, and their first suggestion was to swap out the batteries in the cabinet before trying to troubleshoot error messages, considering that this robot is 12 years old. I did follow Fubini’s instruction to ask for an original PID file to match my robot, so hopefully that is something they can find and I can re-install.

    I compared the various PID files that are saved on my controller, and found that some data/variables are different, but seem to have been used with robots of the same type/Trafoname as mine (pictured above). Manipulating this data is definitely beyond my experience at this time, so it is difficult for me to understand what the differences in the data I am looking at actually entails.

    Kuka did explain the process to turn off $ABS_ACCUR through the windows interface on the controller, so I will test that.

    If you have any further suggestions, please let me know. I greatly appreciate the support and direction.

    • #12

    I wanted to also share an example of the differences in the PID files saved on my controller. The one on the right, 916628, is the one currently loaded on the machine. I highlighted one area in the file to show what I am seeing. The manipulator type is the same in both files.

    What I dont have any clue about is how all of this is impacting my ability to run LIN moves!!

    Thank you again for the help.

    • #13

    you mention that you say the PID file in the archive… did YOU personally collect that archive on THIS robot? did you check serial number in the AM.INI of that archive? because it seems like you may be looking at file that does not belong to this robot. why not take a fresh archive ad check again?

    • #14

    the content of PID that you are comparing is only small part of the PID file

    • #15

    even slight changes in values have an effect. this is why when robot is mounted in different orientation (tilted, or on wall or ceiling) corrections applied by PID will be large enough to exceed some limits and robot will not be able to move. as a workaround one can turn of absolute accuracy and robot will work again — as a standard accuracy robot. to make it absolutely accurate again, it will need to be measured again and get new PID file. again, this file will be good only for current mounting position, any tilt to the surface that robot is mounted on will cause the same issue again. since your robot was factory measured, you should be able to get copy of original PID file from KUKA.

    • #16

    Thank you Fubini and panic mode, I really appreciate the support and feedback. I turned off absolute accuracy and that solved my problem. Waiting on Kuka to send me the original PID file, but I am at least able to start test printing and moving on to the next hurdle.

    I could not have done it without the help here on this forum. Feeling grateful for the internet!

    • #17

    so how exactly did you turn it off?


    • Helpful
    • #18

    Apologies for the delay.

    I was able to turn off absolute accuracy by setting the variable $ABS_ACCUR to FALSE in the $option.dat file. This can be found in the KRC\STEU\Mada folder. In order to overwrite the variable it was necessary to hook up a mouse to the robot controller in order to minimize the HMI and work on the windows side. From there it is a matter of searching for the $option.dat file, changing the variable to false, saving the change and rebooting the controller. This file is write protected so it was not possible to change the variable through the Kuka HMI controls.

    This screenshot shows the variables location in the file. This image was taken on my laptop, not the robot controller.

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FSCUT1000S Laser Cutting Control System User Manual

5

5.1.12 Following deviation is too large…………………………………………………………………. 74

5.1.13 Use period has expired……………………………………………………………………………….74

5.1.14 Move close to board…………………………………………………………………………………..74

5.1.15 Network Alarm………………………………………………………………………………………… 74

5.2 Analysis of common problems…………………………………………………………………………….. 75

5.2.1 There is obvious shaking and mechanical impact when Z axis in following

movement……………………………………………………………………………………………………75

5.2.2 Collision in following mode………………………………………………………………………… 75

5.2.3 Following distance different with the actual setting……………………………………….. 76

5.2.4 Lifting height not right…………………………………………………………………………………76

5.2.5 Upgrade prompt «Check error, ARM upgrade failed»………………………………………76

Решение вопроса с одной ошибкой BCS100 (или невмеру шустрых рук оператора)

На лазере оператор вместо того что-бы произвести калибровку емкостного датчика уровня на автомате понажимал и изменил параметры не в тех менюшках BCS-100.

В попытке исправить что-то еще наделал где-то. В итоге когда позвал на станке висит ошибка Z servo alarm, головка поднялась до самого верха — дошла до концевика и остановилась с ошибкой.

Координаты Z ушли в минус. На вопрос нафига он это делал — вразумительного ответа не дал. Думал что поправит самостоятельно…. больше напортачил.

Выключили станок — гаечным ключем опустили головку поворотом ходового винта — снять из зоны действия концевика — включили станок. Нажимаем вниз — он вместо того что-бы идти вниз идет рывком вверх.

Мы понимаем что координаты Z сбились, калибровка сервопривода не соотвествует. Попытка нажать калибровка сервопривода выдает Calibrate fail. Pos deviation large.

Связались с сервис инженером производителя станка.

после переписки входим меню F2 параметры, нажимаем 5, нажимаем Enter

Direction of servo стоит 1  меняем на 0 и нажимаем Enter что-бы сохранить

выходим из меню, головка начала слушаться и медленным опусканием опускаем головку до касания с листом — она начинает подниматься. Затем нажимаем Origin она встает в 0 позицию.

Z параметры становятся плюсовыми и легкое сумасшествие проходит. Лазер вернулся в строй.

Как потом оказалось вместо F1 калибровка оператор нажал F2 параметры и на автомате нажал 2 и сбросил значение скорости (200мм/c в нашем случае) на 2. Все делал на автомате — поэтому не запомнил что и где он делал. И при Edge seekeng скорость так сильно замедлилась что он решил что все сломалось. Ну и наделал делов. Провели внеочередной инструктаж операторам по параметрам BCS100. Куда лезть а куда не надо.

Кстати когда станок пришел я снял резервную копию компьютера станка, а резервную копию параметров BCS не делал. Понял что зря я об этом не подумал. На повторный запуск станка ушло пол дня. Рекомендую от шаловливых ручек сфотографировать все страницы параметров. Резервная копия параметров с BCS на usb флэшку у нас почему-то не работает.  пишет USB initalizing  и стоит.   

  • #1

getting that error code on X axis of an Indramat AC servo drive system..popular on many German CNC machines. On 1989 vintage Maho mill, wondering if it’s the motor, encoder/tachometer or the drive (it is not the glass scale..scale works fine) Got a nice English manual on the motors, but the drive manual is all in German :rolleyes:

I also wonder if maybe the brake is not releasing….or do these even have a brake ? Nah, probably doesn’t even have a brake…don’t see one anyway.

X axis servo sometimes works, sometimes doesn’t, when it doesn’t work the whole system shuts down and I get the «dynamical following error» error code…and when it works there is a bit of vibration….vibration similar to how a tach equipped DC servo would run if the armature was slightly dirty due to brush carbon…but these Indramat servos are AC (model MAC 071), appear to have no brushes and look pristine inside best I can tell.

The servos have 3 power wires to each…I wonder if X axis servo is single phasing ? If so, why ?

Y and Z axis servos work perfectly…smooth as silk.

Thoughts ?

  • #2

You can get that symptom on an AC servo if the commutation is off or one signal missing.
If DC brushless (looks like AC servo) you have three commutation signals that are either hall effect devices or equivalent on an encoder disc.
There are different methods depending on wether the amplifiers are DC brushless control or sinusoidal.
On a sinusoidal, the amp. initially gets the signal from the three commutation pulses and then uses the encoder for accurate control.
Also you will get rough running with if you have one motor phase missing.
M.

  • #3

if the commutation is off

Could you speculate on possible causes of commutation getting «off» ? Do you mean, «off» as in alignment of a motor component, or electronics malfunction ?

  • #4

Yes off as in misalignment. each of the three commutation signals have to be exactly in phase with its associated motor winding, this alignment is done for instance when the encoder disk or hall effect carrier is moved or when overhauling a motor.
It can cause a similar effect if one signal is missing.
The symptoms usually is the motor runs very rough or oscillates.
Is there any way of subbing one of the other amps to eliminate an amplifier problem first?
M.

  • #5

Is there any way of subbing one of the other amps to eliminate an amplifier problem first?

Assuming by «amp» you mean servo drive, I thought about that…just switch motor wires from known good amp to suspect motor…for example connecting the Z axis drive to X axis motor. But it seems like there would be problem with the CNC control expecting feedback from the glass scales of the Z axis and not getting them as it would be the X axis moving…and therefore an error would generate immediately.

I could switch motors, as in put X motor where Z motor is now…but that would be a major PITA in this case due to different size timing belt drive sheaves and both Y and Z axis servos very difficult to get to on this machine.

Ideas ?

  • #6

If you have the all-in-one type of servo amps then obviously you cannot swop them out unless all of the control and motor cables come in externally and all separately, but yes you would also have to swop the feedback signal/scale, that is if each axis has one.
And again, that is usually only possible if the connectors are all identical and seperate.
Or if it is simpler to swop a motor out if they are the same size.
M.

  • #7

This afternoon I tried swapping the motor connections to Y and X drives, the tachometer connections to each and the glass scales to each. For some reason it still didn’t «work» in the sense that when I pressed the X jog button on the control, it still wanted to move the X axis motor…when one would think with all that switched it would have tried to move the Y axis. All I can figure is some of the tachometer wires must feed back to the CNC control somehow…but really I’m stumped on that one…maybe some parameters needed to be changed as well..

The X axis tachometer seems fine, as when the motor is rotated by hand the appropriate LED’s come on on the drive (LED’s for each rotor position, as it rotates come on and off)

Looking like the culprit is the X axis servo drive, as voltage output is quite erratic..on two legs might jump from 35 to 65 volts just idling for instance, whereas it’s rock steady on Y axis drive. Also, when the drive is on I can move the motor a few degrees of slack, whereas when it was connected to the Y servo drive I couldn’t move it at all.

So, unless a bad AC servo motor can somehow cause erratic voltage readings on it’s drive while not moving, the drive is bad.

Do you guys agree ?

  • #8

I would tend to go with the servo drive being the culprit, Servo motors rarely burn out due to current control on the drive, the commonest problem I have had with motors is de-magnetization, which tends to show up as overcurrent and the drive shuts down.
There is a limited way of checking the motor offline by rotating it with another motor and testing the back emf of each phase, but this is best done with a scope.
M.

  • #9

Today I figured out what I did wrong in my drive amp swap test…I shouldn’t have swapped the glass scale connectors !

So, doing the drive swap correctly, now the X axis motor works perfectly and the Y axis acts exactly like the X used to. So, 100 percent confirmation the problem is the X axis servo drive amp.

Already cracked open the X drive and, no smoking guns…all looks pristine inside…no hint of overheating anywhere.. Even the large 160uF capacitor is testing like new. Power transistor looks like new…so, it’s probably some wayward IC in there….gawd…why do I always get these «hard» problems….

A couple things:

First, I don’t think pmemd.MPI accepts restraintmask=’.CA,C,O,N’, it should

only accept GROUP inputs (unless of course one of the CUDA patches updated

that silently without me realizing, I added the mask parsing functionality

to pmemd well after Amber 11 was released, but maybe not before the latest

CUDA upgrade, so if it wasn’t dumped into pmemd by an earlier patch then it

will at least be part of Amber 12).

Outside of that, my best advice will be to look at the trajectory

(*specifically* atoms 86 and 119, since those are the atoms SHAKE failed

for). Does anything weird happen? You should see those atoms bouncing

around a lot (you may have to reduce ntpr in order to visualize that).

My guess is that even though you may not be getting that error with the

serial pmemd, it may still be suffering from the same issue (do you see any

«vlimit exceeded» warnings in either case?).

On another note — why do you have nscm = 0? You should leave that at its

default, especially in GB solvent, I would imagine. Left to its own

devices, any system in implicit solvent will move freely around in space, so

it’s always a good idea to eliminate translational motion via the nscm flag.

Of course it could be that you have a complicated system that either falls

through one of the error traps (if your system isn’t quite valid) or that it

triggers a rare bug in parallel due to its peculiar behavior, but I think

this is probably unlikely…

HTH,

Jason

On Wed, Aug 17, 2011 at 10:13 PM, Danny Xu <quantum_mania.yahoo.com> wrote:

> Hi,

>

> When using pmemd.MPI, I get

>

>

> Coordinate resetting cannot be accomplished,

> deviation is too large

> iter_cnt, my_bond_idx, i and j are : 1 1 86 119

>

>

> whereas serial pmemd works just fine…

>

> Here’s my heating.mdin

>

> &cntrl

> imin = 0, !no mininisation

> irest = 0, !no trajectory restart

> ntx = 1, !only coordinates are read in

> dt = 0.002, !2fs time step

> ntc = 2, !SHAKE; bonds involving H are constrainted

> ntf = 2, !all H-atom bonds forces are not evaluated

> nsnb = 25,

> tol = 0.000001, !Shake tolerance 10 times tighter

> ntb = 0, !no periodicity and PME off!

> ntp = 0, !No pressure control

> cut = 9999.0, !9999A cut off

> igb = 2,

> rgbmax = 9999.0, !default max dist between atom pairs Born radii

> calc.

> saltcon= 0.2, !salt concentration (M)

> ntt = 3, !constant temp using langevin

> tempi = 0.0, !initial temp = 0K

> temp0 = 300.0, !final temp = 300K

> gamma_ln = 1.0, !1.0 per ps for collision freq

> ntpr = 500, !print details to log every 500 steps

> ntwx = 500, !write coordinates to mdcrd every 500 steps

> ntwr = 50000, !write restart file to heat.rst every 50000 steps

> iwrap = 0, !wrap periodic molecules.

> nstlim = 850000, !run for 850,000 steps

> ntr = 1, !restraints

> restraint_wt=2.0, ! Weight

> restraintmask=».CA,C,O,N», !Backbone atoms selection

> nscm = 0, !No removal of COM motion

> nmropt = 1, !Scale temp target.

> ig = -1, !Random seed based on wallclock.

> ioutfm = 1, !NetCDF MDCRD.

> /

> &wt type=’TEMP0′, istep1=0,istep2=600000,

> value1=0.0, value2=300.0

> /

> &wt type=’TEMP0′, istep1=600001,istep2=850000,

> value1=300.0, value2=300.0

> /

> &wt type=’END’

> /

> _______________________________________________

> AMBER mailing list

> AMBER.ambermd.org

> http://lists.ambermd.org/mailman/listinfo/amber

>

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Wed Aug 17 2011 — 20:00:03 PDT

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