Task 38602526

Name p38_A04_A14_r0_1-QUICO_ATM_GAFF2_NAGL_p38-4-6-RND6584_2
Workunit 31556920
Created 10 Apr 2026, 3:10:26 UTC
Sent 10 Apr 2026, 3:10:31 UTC
Report deadline 15 Apr 2026, 3:10:31 UTC
Received 10 Apr 2026, 5:02:04 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648521
Run time 25 min 17 sec
CPU time 31 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,693.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.87 MB
Peak swap size 6.55 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:32:59 (21592): wrapper (7.9.26016): starting
00:32:59 (21592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
00:33:00 (21592): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:00 (21592): 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.
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
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 10, in rbfe_production
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 11, in <module>
  File "<frozen importlib._bootstrap>", line 1176, in _find_and_load
  File "<frozen importlib._bootstrap>", line 1147, in _find_and_load_unlocked
  File "<frozen importlib._bootstrap>", line 690, in _load_unlocked
  File "<frozen importlib._bootstrap_external>", line 936, in exec_module
  File "<frozen importlib._bootstrap_external>", line 1073, in get_code
  File "<frozen importlib._bootstrap_external>", line 1131, in get_data
OSError: [Errno 22] Invalid argument
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
01:00:42 (21592): C:/Windows/system32/cmd.exe exited; CPU time 31.859375
01:00:42 (21592): app exit status: 0x16
01:00:42 (21592): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 16433125 bytes.
Dumping objects ->
{3835282} normal block at 0x000001E19E548840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001E19E548920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001E19E548530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001E19C714380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001E19C714A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001E19E4F73F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001E19C76D7E0, 140 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) : {3835193} normal block at 0x000001E19C70D920, 8 bytes long.
 Data: <  &#189;&#156;&#225;   > 00 00 BD 9C E1 01 00 00 
{3834569} normal block at 0x000001E19C76D710, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001E19C70D650, 8 bytes long.
 Data: < &#214;o&#156;&#225;   > 90 D6 6F 9C E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E19C701C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E19C6FE930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E19C715760, 16 bytes long.
 Data: <xbq&#156;&#225;           > 78 62 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E19C715BC0, 16 bytes long.
 Data: <Pbq&#156;&#225;           > 50 62 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E19C7110C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E19C715B20, 16 bytes long.
 Data: <(bq&#156;&#225;           > 28 62 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E19C7154E0, 16 bytes long.
 Data: < bq&#156;&#225;           > 00 62 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E19C715DA0, 16 bytes long.
 Data: <&#216;aq&#156;&#225;           > D8 61 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E19C715E90, 16 bytes long.
 Data: <&#176;aq&#156;&#225;           > B0 61 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E19C7147E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E19C7151C0, 16 bytes long.
 Data: <x p&#156;&#225;           > 78 13 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E19C711300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E19C715440, 16 bytes long.
 Data: <P p&#156;&#225;           > 50 13 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E19C7156C0, 16 bytes long.
 Data: <( p&#156;&#225;           > 28 13 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E19C715990, 16 bytes long.
 Data: <  p&#156;&#225;           > 00 13 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E19C715710, 16 bytes long.
 Data: <&#216; p&#156;&#225;           > D8 12 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E19C715E40, 16 bytes long.
 Data: <&#176; p&#156;&#225;           > B0 12 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E19C715670, 16 bytes long.
 Data: <  p&#156;&#225;           > 88 12 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E19C710FA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E19C715080, 16 bytes long.
 Data: <` p&#156;&#225;           > 60 12 70 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E19C701260, 320 bytes long.
 Data: < Pq&#156;&#225;   &#160; q&#156;&#225;   > 80 50 71 9C E1 01 00 00 A0 0F 71 9C E1 01 00 00 
{274} normal block at 0x000001E19C715AD0, 16 bytes long.
 Data: < aq&#156;&#225;           > 90 61 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E19C7153F0, 16 bytes long.
 Data: <haq&#156;&#225;           > 68 61 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E19C710820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E19C7155D0, 16 bytes long.
 Data: <@aq&#156;&#225;           > 40 61 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E19C710F40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E19C715030, 16 bytes long.
 Data: < `q&#156;&#225;           > 88 60 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E19C7159E0, 16 bytes long.
 Data: <``q&#156;&#225;           > 60 60 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E19C715850, 16 bytes long.
 Data: <8`q&#156;&#225;           > 38 60 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E19C715D50, 16 bytes long.
 Data: < `q&#156;&#225;           > 10 60 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E19C714FE0, 16 bytes long.
 Data: <&#232;_q&#156;&#225;           > E8 5F 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E19C715620, 16 bytes long.
 Data: <&#192;_q&#156;&#225;           > C0 5F 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E19C715490, 16 bytes long.
 Data: <pGq&#156;&#225;           > 70 47 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E19C714770, 40 bytes long.
 Data: < Tq&#156;&#225;   &#240;sO&#158;&#225;   > 90 54 71 9C E1 01 00 00 F0 73 4F 9E E1 01 00 00 
{260} normal block at 0x000001E19C715580, 16 bytes long.
 Data: <&#160;_q&#156;&#225;           > A0 5F 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E19C714F90, 16 bytes long.
 Data: <x_q&#156;&#225;           > 78 5F 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E19C710EE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E19C715D00, 16 bytes long.
 Data: <P_q&#156;&#225;           > 50 5F 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E19C715F50, 992 bytes long.
 Data: < ]q&#156;&#225;   &#224; q&#156;&#225;   > 00 5D 71 9C E1 01 00 00 E0 0E 71 9C E1 01 00 00 
{92} normal block at 0x000001E19C710760, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E19C70D330, 16 bytes long.
 Data: <&#176;Eq&#156;&#225;           > B0 45 71 9C E1 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E19C7145B0, 40 bytes long.
 Data: <0&#211;p&#156;&#225;   ` q&#156;&#225;   > 30 D3 70 9C E1 01 00 00 60 07 71 9C E1 01 00 00 
{69} normal block at 0x000001E19C70CCA0, 16 bytes long.
 Data: < &#234;{ &#247;           > 80 EA 7B 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E19C70CF20, 16 bytes long.
 Data: <@&#233;{ &#247;           > 40 E9 7B 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E19C70CC50, 16 bytes long.
 Data: <&#248;Wx &#247;           > F8 57 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E19C70D150, 16 bytes long.
 Data: <&#216;Wx &#247;           > D8 57 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E19C70DBA0, 16 bytes long.
 Data: <P x &#247;           > 50 04 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E19C70D880, 16 bytes long.
 Data: <0 x &#247;           > 30 04 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E19C70DAB0, 16 bytes long.
 Data: <&#224; x &#247;           > E0 02 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E19C70D3D0, 16 bytes long.
 Data: <  x &#247;           > 10 04 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E19C70D470, 16 bytes long.
 Data: <p x &#247;           > 70 04 78 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E19C70DA10, 16 bytes long.
 Data: < &#192;v &#247;           > 18 C0 76 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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