Hi all,
a lot of WU (acemd3 and ATMML) during last week stopped and abort during execution on different old gpu Nvidia (gtx750 ti with 2 GB, gtx 1060 with 3 GB and others)
error 195 (0xc3) EXIT_CHILD_FAILED in report
Any suggestion ?
I updated driver but no change to eliminate this problem.
Thanks in advance.
K.
Here the log .... my pc's are no visible :
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
13:43:32 (7156): wrapper (7.9.26016): starting
13:43:32 (7156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
aceforce_dft_v0.4.ckpt
Acellera-AToM-OpenMM-gitrepo/
Acellera-AToM-OpenMM-gitrepo/sync/
Acellera-AToM-OpenMM-gitrepo/sync/worker.py
Acellera-AToM-OpenMM-gitrepo/sync/atm.py
Acellera-AToM-OpenMM-gitrepo/sync/__init__.py
Acellera-AToM-OpenMM-gitrepo/ommsystem.py
Acellera-AToM-OpenMM-gitrepo/environment.yml
Acellera-AToM-OpenMM-gitrepo/openmm_async_re.py
Acellera-AToM-OpenMM-gitrepo/rbfe_structprep.py
Acellera-AToM-OpenMM-gitrepo/rbfe_explicit_sync.py
Acellera-AToM-OpenMM-gitrepo/ommreplica.py
Acellera-AToM-OpenMM-gitrepo/utils/
Acellera-AToM-OpenMM-gitrepo/utils/logging.conf
Acellera-AToM-OpenMM-gitrepo/utils/AtomUtils.py
Acellera-AToM-OpenMM-gitrepo/utils/timer.py
Acellera-AToM-OpenMM-gitrepo/utils/singal_guard.py
Acellera-AToM-OpenMM-gitrepo/utils/__init__.py
Acellera-AToM-OpenMM-gitrepo/atom_nnp_wrapper.py
Acellera-AToM-OpenMM-gitrepo/local_openmm_transport.py
Acellera-AToM-OpenMM-gitrepo/temperatureRE_explicit.py
Acellera-AToM-OpenMM-gitrepo/examples/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/temoa-g1.prmtop
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/temoa-g1.inpcrd
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/equil.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/npt.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/temoa-g1_asyncre.cntl
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/README.md
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/mdlambda.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/temoa-g1/mintherm.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/scripts/nodefile
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/scripts/runopenmm
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/dmso.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/dap.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/thi.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/but.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/dss.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/dapp.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/ligands/prop.mol2
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/receptor/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/receptor/fkbp.pdb
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/README.md
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/setup-settings.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/mdlambda_template.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/equil_template.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/prep_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/mintherm_template.py
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/runopenmm
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/run_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/asyncre_template.cntl
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/setup-atm.sh
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/nodefile
Acellera-AToM-OpenMM-gitrepo/examples/ABFE/fkbp/scripts/free_energies_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/nodefile
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/TYK2_m01_m04.prmtop
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/TYK2_m01_m04.inpcrd
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/TYK2_m01_m04.pdb
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/TYK2_m01_m04_asyncre.cntl
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/TYK2_m01_m04/README.md
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/scripts/runopenmm
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/scripts/nodefile
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/ligands/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/ligands/3a.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/ligands/2e.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/ligands/2d.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/ligands/3b.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/nodefile
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/setup-atm.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/run_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/prep_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/setup-settings.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/free_energies_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/asyncre_template.cntl
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/mintherm_template.py
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/runopenmm
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/scripts/equil_template.py
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/receptor/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/receptor/eralpha.pdb
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/eralpha/README.md
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1Q.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OIU.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1Q.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OI9.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1S.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OIU.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1S.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OIY.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OIY.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1OI9.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1R.mol2
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/ligands/1H1R.sdf
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/receptor/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/receptor/cdk2.pdb
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/README.md
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/prep_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/free_energies_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/run_template.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/asyncre_template.cntl
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/setup-settings.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/cdk2/scripts/setup-atm.sh
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/temoa-g1-g4_asyncre.cntl
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/temoa-g1-g4.prmtop
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/temoa-g1-g4.inpcrd
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/README.md
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/mintherm.py
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/equil.py
Acellera-AToM-OpenMM-gitrepo/examples/RBFE/temoa-g1-g4/npt.py
Acellera-AToM-OpenMM-gitrepo/examples/README.md
Acellera-AToM-OpenMM-gitrepo/examples/scripts/
Acellera-AToM-OpenMM-gitrepo/examples/scripts/analyze.sh
Acellera-AToM-OpenMM-gitrepo/examples/scripts/runopenmm
Acellera-AToM-OpenMM-gitrepo/examples/scripts/uwham_analysis.R
Acellera-AToM-OpenMM-gitrepo/examples/scripts/nodefile
Acellera-AToM-OpenMM-gitrepo/.github/
Acellera-AToM-OpenMM-gitrepo/.github/workflows/
Acellera-AToM-OpenMM-gitrepo/.github/workflows/publish.yml
Acellera-AToM-OpenMM-gitrepo/abfe_explicit.py
Acellera-AToM-OpenMM-gitrepo/setup.py
Acellera-AToM-OpenMM-gitrepo/transport.py
Acellera-AToM-OpenMM-gitrepo/README.md
Acellera-AToM-OpenMM-gitrepo/gibbs_sampling.py
Acellera-AToM-OpenMM-gitrepo/rbfe_explicit_zrestr.py
Acellera-AToM-OpenMM-gitrepo/LICENSE
Acellera-AToM-OpenMM-gitrepo/abfe_structprep.py
Acellera-AToM-OpenMM-gitrepo/abfe_explicit_zrestr.py
Acellera-AToM-OpenMM-gitrepo/ommworker.py
Acellera-AToM-OpenMM-gitrepo/rbfe_explicit.py
atom.tar
QB_A03_A13_0.xml
QB_A03_A13_asyncre.cntl
QB_A03_A13.inpcrd
QB_A03_A13.prmtop
run_26_09_2024_14_32_815cc40a/
run_26_09_2024_14_32_815cc40a/A03_A13/
run_26_09_2024_14_32_815cc40a/A03_A13/.cache/
run_26_09_2024_14_32_815cc40a/A03_A13/.cache/fontconfig/
run_26_09_2024_14_32_815cc40a/A03_A13/.cache/matplotlib/
run_26_09_2024_14_32_815cc40a/A03_A13/run_26_09_2024_14_25_e5a8eacc/
run_26_09_2024_14_32_815cc40a/A03_A13/build_1/
run_26_09_2024_14_32_815cc40a/A03_A13/.config/
run_26_09_2024_14_32_815cc40a/A03_A13/.config/matplotlib/
run_26_09_2024_14_32_815cc40a/A03_A13/.htmd/
run_26_09_2024_14_32_815cc40a/A03_A13/scratch/
run.bat
run.sh
13:43:39 (7156): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:39 (7156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
DEPRECATION: Loading egg at c:\programdata\boinc\slots\3\lib\site-packages\openmmtorch-1.0-py3.11-win-amd64.egg is deprecated. pip 24.3 will enforce this behaviour change. A possible replacement is to use pip for package installation.. Discussion can be found at https://github.com/pypa/pip/issues/12330
DEPRECATION: Loading egg at c:\programdata\boinc\slots\3\lib\site-packages\openmmtorch-1.0-py3.11-win-amd64.egg is deprecated. pip 24.3 will enforce this behaviour change. A possible replacement is to use pip for package installation.. Discussion can be found at https://github.com/pypa/pip/issues/12330
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
[W output_modules.py:45] Warning: CUDA graph capture will lock the batch to the current number of samples (2). Changing this will result in a crash (function )
[W C:\cb\pytorch_1000000000000\work\third_party\nvfuser\csrc\graph_fuser.cpp:108] Warning: operator () profile_node %1201 : int[] = prim::profile_ivalue(%dims.28)
does not have profile information (function operator ())
[W output_modules.py:45] Warning: CUDA graph capture will lock the batch to the current number of samples (2). Changing this will result in a crash (function )
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\3\Scripts\rbfe_explicit_sync.py", line 11, in <module>
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\sync\atm.py", line 126, in scheduleJobs
self.worker.run(replica)
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\sync\worker.py", line 124, in run
raise RuntimeError(f"Simulation failed {ntry} times!")
RuntimeError: Simulation failed 5 times!
13:53:30 (7156): C:/Windows/system32/cmd.exe exited; CPU time 369.000000
13:53:30 (7156): app exit status: 0x16
13:53:30 (7156): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 3447821 bytes.
Dumping objects ->
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Data: <À 6`` > C0 0C 36 60 60 02 00 00 00 00 00 00 00 00 00 00
{245} normal block at 0x000002606035F7A0, 16 bytes long.
Data: < 6`` > 98 0C 36 60 60 02 00 00 00 00 00 00 00 00 00 00
{244} normal block at 0x000002606035B920, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{243} normal block at 0x000002606035F700, 16 bytes long.
Data: <p 6`` > 70 0C 36 60 60 02 00 00 00 00 00 00 00 00 00 00
{242} normal block at 0x0000026060360C70, 992 bytes long.
Data: < ÷5`` ¹5`` > 00 F7 35 60 60 02 00 00 20 B9 35 60 60 02 00 00
{86} normal block at 0x000002606035BC20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000026060355AD0, 16 bytes long.
Data: < œ5`` > 10 9C 35 60 60 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000026060359C10, 40 bytes long.
Data: <ÐZ5`` ¼5`` > D0 5A 35 60 60 02 00 00 20 BC 35 60 60 02 00 00
{63} normal block at 0x0000026060355080, 16 bytes long.
Data: < êJ“÷ > 80 EA 4A 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026060355030, 16 bytes long.
Data: <@éJ“÷ > 40 E9 4A 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026060355800, 16 bytes long.
Data: <øWG“÷ > F8 57 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026060355850, 16 bytes long.
Data: <ØWG“÷ > D8 57 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026060354FE0, 16 bytes long.
Data: <P G“÷ > 50 04 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026060355580, 16 bytes long.
Data: <0 G“÷ > 30 04 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026060355C60, 16 bytes long.
Data: <à G“÷ > E0 02 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026060355760, 16 bytes long.
Data: < G“÷ > 10 04 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000260603551C0, 16 bytes long.
Data: <p G“÷ > 70 04 47 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026060355EE0, 16 bytes long.
Data: < ÀE“÷ > 18 C0 45 93 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
____________
Dreams do not always come true. But not because they are too big or impossible. Why did we stop believing.
(Martin Luther King) |