GROMACS Fatal Error

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GROMACS Fatal Error

Postby oliverjdent » Thu Aug 23, 2018 4:52 pm

About two weeks ago I started to get the following error on the CPU folding. I have tried to research with little luck.

I upgraded the client to 7.5.1 with no change.

I have attempted to delete the work directory, but the same errors keep happening.

My machine has the following:
- CPU: AMD Ryzen 7 1700
- Motherboard: MSI Gaming Pro Carbon Motherboard
- DRAM: 32GB
- Video Card: NVIDIA GeForce GTX 1060 6GB

The system has been running fine on the CPU (and GPU) ever since I built the machine in October 2017. The only issue I have had since then was a bad NVIDIA driver I successfully downgraded.

If anyone has any suggestions I thank you in advance.

Code: Select all
15:37:33:WU02:FS00:Running FahCore: "C:\Program Files (x86)\FAHClient/FAHCoreWrapper.exe" C:\ProgramData\FAHClient\cores/ -dir 02 -suffix 01 -version 705 -lifeline 31904 -checkpoint 15 -np 15
15:37:33:WU02:FS00:Started FahCore on PID 32384
15:37:33:WU02:FS00:Core PID:22828
15:37:33:WU02:FS00:FahCore 0xa7 started
15:37:34:WU02:FS00:0xa7:*********************** Log Started 2018-08-23T15:37:33Z ***********************
15:37:34:WU02:FS00:0xa7:************************** Gromacs Folding@home Core ***************************
15:37:34:WU02:FS00:0xa7:       Type: 0xa7
15:37:34:WU02:FS00:0xa7:       Core: Gromacs
15:37:34:WU02:FS00:0xa7:    Website:
15:37:34:WU02:FS00:0xa7:  Copyright: (c) 2009-2018
15:37:34:WU02:FS00:0xa7:     Author: Joseph Coffland <>
15:37:34:WU02:FS00:0xa7:       Args: -dir 02 -suffix 01 -version 705 -lifeline 32384 -checkpoint 15 -np
15:37:34:WU02:FS00:0xa7:             15
15:37:34:WU02:FS00:0xa7:     Config: <none>
15:37:34:WU02:FS00:0xa7:************************************ Build *************************************
15:37:34:WU02:FS00:0xa7:    Version: 0.0.17
15:37:34:WU02:FS00:0xa7:       Date: Apr 27 2018
15:37:34:WU02:FS00:0xa7:       Time: 16:19:36
15:37:34:WU02:FS00:0xa7: Repository: Git
15:37:34:WU02:FS00:0xa7:   Revision: 21359963583d09ec2063ef946399441c4df4ccd7
15:37:34:WU02:FS00:0xa7:     Branch: master
15:37:34:WU02:FS00:0xa7:   Compiler: Visual C++ 2008
15:37:34:WU02:FS00:0xa7:    Options: /TP /nologo /EHa /wd4297 /wd4103 /Ox /MT
15:37:34:WU02:FS00:0xa7:   Platform: win32 10
15:37:34:WU02:FS00:0xa7:       Bits: 64
15:37:34:WU02:FS00:0xa7:       Mode: Release
15:37:34:WU02:FS00:0xa7:       SIMD: avx_256
15:37:34:WU02:FS00:0xa7:************************************ System ************************************
15:37:34:WU02:FS00:0xa7:        CPU: Unknown
15:37:34:WU02:FS00:0xa7:     CPU ID:
15:37:34:WU02:FS00:0xa7:       CPUs: 16
15:37:34:WU02:FS00:0xa7:     Memory: 31.95GiB
15:37:34:WU02:FS00:0xa7:Free Memory: 15.88GiB
15:37:34:WU02:FS00:0xa7:    Threads: WINDOWS_THREADS
15:37:34:WU02:FS00:0xa7: OS Version: 6.2
15:37:34:WU02:FS00:0xa7:Has Battery: false
15:37:34:WU02:FS00:0xa7: On Battery: false
15:37:34:WU02:FS00:0xa7: UTC Offset: -5
15:37:34:WU02:FS00:0xa7:        PID: 22828
15:37:34:WU02:FS00:0xa7:        CWD: C:\ProgramData\FAHClient\work
15:37:34:WU02:FS00:0xa7:         OS: Windows 10 Pro
15:37:34:WU02:FS00:0xa7:    OS Arch: AMD64
15:37:34:WU02:FS00:0xa7:Project: 13817 (Run 0, Clone 35, Gen 16)
15:37:34:WU02:FS00:0xa7:Unit: 0x0000001a80fccb045b6080c5948b6145
15:37:34:WU02:FS00:0xa7:Reading tar file core.xml
15:37:34:WU02:FS00:0xa7:Reading tar file frame16.tpr
15:37:34:WU02:FS00:0xa7:Digital signatures verified
15:37:34:WU02:FS00:0xa7:Calling: mdrun -s frame16.tpr -o frame16.trr -x frame16.xtc -e frame16.edr -cpt 15 -nt 15
15:37:34:WU02:FS00:0xa7:Steps: first=4000000 total=250000
15:37:34:WU02:FS00:0xa7:ERROR:Program GROMACS, VERSION 5.0.4-20161122-4846b12ba-unknown
15:37:34:WU02:FS00:0xa7:ERROR:Source code file: C:\build\fah\core-a7-avx-release\windows-10-64bit-core-a7-avx-release\gromacs-core\build\gromacs\src\gromacs\mdlib\domdec.c, line: 6902
15:37:34:WU02:FS00:0xa7:ERROR:Fatal error:
15:37:34:WU02:FS00:0xa7:ERROR:There is no domain decomposition for 15 ranks that is compatible with the given box and a minimum cell size of 1.45733 nm
15:37:34:WU02:FS00:0xa7:ERROR:Change the number of ranks or mdrun option -rcon or -dds or your LINCS settings
15:37:34:WU02:FS00:0xa7:ERROR:Look in the log file for details on the domain decomposition
15:37:34:WU02:FS00:0xa7:ERROR:For more information and tips for troubleshooting, please check the GROMACS
15:37:34:WU02:FS00:0xa7:ERROR:website at
15:37:38:WU02:FS00:0xa7:WARNING:Unexpected exit() call
15:37:38:WU02:FS00:0xa7:WARNING:Unexpected exit from science code
15:37:38:WU02:FS00:0xa7:Saving result file ..\logfile_01.txt
15:37:38:WU02:FS00:0xa7:Saving result file md.log
15:37:38:WU02:FS00:0xa7:Saving result file science.log
15:37:38:WU02:FS00:0xa7:WARNING:While cleaning up: Failed to remove directory '01': boost::filesystem::remove: The process cannot access the file because it is being used by another process: "01\md.log"
15:37:38:WU02:FS00:0xa7:Folding@home Core Shutdown: BAD_WORK_UNIT
15:37:39:WARNING:WU02:FS00:FahCore returned: BAD_WORK_UNIT (114 = 0x72)
15:37:39:WU02:FS00:Sending unit results: id:02 state:SEND error:FAULTY project:13817 run:0 clone:35 gen:16 core:0xa7 unit:0x0000001a80fccb045b6080c5948b6145
15:37:39:WU02:FS00:Uploading 19.00KiB to
15:37:39:WU02:FS00:Connecting to
15:37:39:WU02:FS00:Upload complete
15:37:39:WU02:FS00:Server responded WORK_ACK (400)
15:37:39:WU02:FS00:Cleaning up
15:37:39:WU01:FS00:Connecting to
15:37:40:WU01:FS00:Assigned to work server
15:37:40:WU01:FS00:Requesting new work unit for slot 00: READY cpu:15 from
15:37:40:WU01:FS00:Connecting to
15:37:41:WU01:FS00:Downloading 1.92MiB
15:37:43:WU01:FS00:Download complete
15:37:43:WU01:FS00:Received Unit: id:01 state:DOWNLOAD error:NO_ERROR project:13817 run:0 clone:82 gen:0 core:0xa7 unit:0x0000000080fccb045b6080c5c1c92d35
Posts: 5
Joined: Thu Jan 02, 2014 7:36 pm

Re: GROMACS Fatal Error

Postby Joe_H » Thu Aug 23, 2018 7:36 pm

Remove the beta flag from your configuration. Support for use of that flag is only done in the Beta Test forum, you need to be a Beta test team member to post there.

I will bring this report to the attention of the person running the project, it may require some adjustments in its assignment. Beta test topic is here - viewtopic.php?f=66&t=30963.

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