Task 38597290
| Name | MCL1_A37_A11_r0_5-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND9755_0 |
| Workunit | 31553193 |
| Created | 8 Apr 2026, 7:45:21 UTC |
| Sent | 8 Apr 2026, 8:11:13 UTC |
| Report deadline | 13 Apr 2026, 8:11:13 UTC |
| Received | 9 Apr 2026, 3:35:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:21:23 (8520): wrapper (7.9.26016): starting
03:21:23 (8520): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A11_0.pdb
QB_A37_A11_0.xml
QB_A37_A11.inpcrd
QB_A37_A11_input.yaml
QB_A37_A11.pdb
QB_A37_A11.prmtop
QB_A37_A11_sys.xml
run.bat
run.sh
03:21:24 (8520): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:21:24 (8520): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommreplica.py", line 32, in __init__
self.positions = state.getPositions(asNumpy=True).value_in_unit(unit.nanometers)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 18625, in getPositions
self._positionsNumpy = numpy.empty([self._getNumParticles(), 3], numpy.float64)
^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'empty'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 80, in update_state_of_replica
replica = self.openmm_replicas[repl]
~~~~~~~~~~~~~~~~~~~~^^^^^^
IndexError: list index out of range
04:06:22 (8520): C:/Windows/system32/cmd.exe exited; CPU time 9.921875
04:06:22 (8520): app exit status: 0x16
04:06:22 (8520): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 28317851 bytes.
Dumping objects ->
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{3835230} normal block at 0x0000022D5F86C2D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x0000022D5F86C500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x0000022D5F86CE30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x0000022D5F86C810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x0000022D617119F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x0000022D61620A00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835152} normal block at 0x0000022D5F83EB80, 8 bytes long.
Data: < ß_- > 00 00 DF 5F 2D 02 00 00
{3834554} normal block at 0x0000022D6161FB90, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000022D5F83EEF0, 8 bytes long.
Data: <ðÙ{_- > F0 D9 7B 5F 2D 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022D5F845610, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022D5F7C2A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000022D5F844150, 16 bytes long.
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{299} normal block at 0x0000022D5F844240, 16 bytes long.
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{298} normal block at 0x0000022D5F83D580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000022D5F8441F0, 16 bytes long.
Data: <¨;„_- > A8 3B 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022D5F844C90, 16 bytes long.
Data: < ;„_- > 80 3B 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022D5F844830, 16 bytes long.
Data: <X;„_- > 58 3B 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022D5F844970, 16 bytes long.
Data: <0;„_- > 30 3B 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022D5F841D80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000022D5F8443D0, 16 bytes long.
Data: <Ø4„_- > D8 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022D5F83D520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000022D5F844650, 16 bytes long.
Data: <°4„_- > B0 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022D5F843ED0, 16 bytes long.
Data: < 4„_- > 88 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022D5F844330, 16 bytes long.
Data: <`4„_- > 60 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022D5F844560, 16 bytes long.
Data: <84„_- > 38 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022D5F8442E0, 16 bytes long.
Data: < 4„_- > 10 34 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022D5F843E80, 16 bytes long.
Data: <è3„_- > E8 33 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022D5F83CFE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000022D5F844290, 16 bytes long.
Data: <À3„_- > C0 33 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022D5F8433C0, 320 bytes long.
Data: < B„_- àσ_- > 90 42 84 5F 2D 02 00 00 E0 CF 83 5F 2D 02 00 00
{280} normal block at 0x0000022D5F843E30, 16 bytes long.
Data: < ;„_- > 10 3B 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022D5F8449C0, 16 bytes long.
Data: <è:„_- > E8 3A 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022D5F83D220, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000022D5F844380, 16 bytes long.
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{276} normal block at 0x0000022D5F83DD60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000022D5F844790, 16 bytes long.
Data: < :„_- > 08 3A 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022D5F844B00, 16 bytes long.
Data: <à9„_- > E0 39 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022D5F8447E0, 16 bytes long.
Data: <¸9„_- > B8 39 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022D5F83E9A0, 16 bytes long.
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{271} normal block at 0x0000022D5F83E950, 16 bytes long.
Data: <h9„_- > 68 39 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022D5F83E900, 16 bytes long.
Data: <@9„_- > 40 39 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022D5F83E810, 16 bytes long.
Data: <  „_- > A0 1C 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022D5F841CA0, 40 bytes long.
Data: < èƒ_- ð qa- > 10 E8 83 5F 2D 02 00 00 F0 19 71 61 2D 02 00 00
{266} normal block at 0x0000022D5F83E590, 16 bytes long.
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{265} normal block at 0x0000022D5F83E2C0, 16 bytes long.
Data: <ø8„_- > F8 38 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022D5F83DB20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000022D5F83EC70, 16 bytes long.
Data: <Ð8„_- > D0 38 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022D5F8438D0, 992 bytes long.
Data: <pìƒ_- Ûƒ_- > 70 EC 83 5F 2D 02 00 00 20 DB 83 5F 2D 02 00 00
{98} normal block at 0x0000022D5F83DAC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000022D5F83E770, 16 bytes long.
Data: < „_- > 10 1D 84 5F 2D 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000022D5F841D10, 40 bytes long.
Data: <pçƒ_- ÀÚƒ_- > 70 E7 83 5F 2D 02 00 00 C0 DA 83 5F 2D 02 00 00
{75} normal block at 0x0000022D5F83E450, 16 bytes long.
Data: < êð ÷ > 80 EA F0 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022D5F83F0D0, 16 bytes long.
Data: <@éð ÷ > 40 E9 F0 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022D5F83E630, 16 bytes long.
Data: <øWí ÷ > F8 57 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022D5F83E4F0, 16 bytes long.
Data: <ØWí ÷ > D8 57 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022D5F83E5E0, 16 bytes long.
Data: <P í ÷ > 50 04 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022D5F83E180, 16 bytes long.
Data: <0 í ÷ > 30 04 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022D5F83ECC0, 16 bytes long.
Data: <à í ÷ > E0 02 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022D5F83EF90, 16 bytes long.
Data: < í ÷ > 10 04 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022D5F83E1D0, 16 bytes long.
Data: <p í ÷ > 70 04 ED 0C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022D5F83E6D0, 16 bytes long.
Data: < Àë ÷ > 18 C0 EB 0C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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