Task 38697718

Name test_660-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9848_0
Workunit 31638274
Created 1 Nov 2026, 20:10:08 UTC
Sent 1 Nov 2026, 20:10:08 UTC
Report deadline 6 Nov 2026, 20:10:08 UTC
Received 2 Nov 2026, 8:33:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648979
Run time 2 hours 3 min 32 sec
CPU time 1 hours 58 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,141.69 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.18 MB
Peak swap size 6.69 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:28:59 (6108): wrapper (7.9.26016): starting
22:28:59 (6108): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
22:29:01 (6108): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:29:01 (6108): 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\0\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\0\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.
08:32:19 (28812): wrapper (7.9.26016): starting
08:32:19 (28812): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:32:44 (28812): C:/Windows/system32/cmd.exe exited; CPU time 3482.140625
09:32:44 (28812): called boinc_finish(0)
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: 58679308 bytes.
Dumping objects ->
{1628} normal block at 0x00000253F9044920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1617} normal block at 0x00000253F9044A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1606} normal block at 0x00000253F9044D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1595} normal block at 0x00000253F90448B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1584} normal block at 0x00000253F9044990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1553} normal block at 0x00000253F90390B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1542} normal block at 0x00000253F902C210, 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) : {1539} normal block at 0x00000253F9045410, 8 bytes long.
 Data: <  R S   > 00 00 52 F9 53 02 00 00 
{912} normal block at 0x00000253F902B4F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{304} normal block at 0x00000253F9045F00, 8 bytes long.
 Data: <Pg  S   > 50 67 04 F9 53 02 00 00 
{295} normal block at 0x00000253F9036270, 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 0x00000253F90457D0, 16 bytes long.
 Data: <Xf  S           > 58 66 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000253F90462C0, 16 bytes long.
 Data: <0f  S           > 30 66 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253F903FE70, 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 0x00000253F9045780, 16 bytes long.
 Data: < f  S           > 08 66 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000253F90459B0, 16 bytes long.
 Data: < e  S           > E0 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000253F9045460, 16 bytes long.
 Data: < e  S           > B8 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000253F90456E0, 16 bytes long.
 Data: < e  S           > 90 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000253F9044D10, 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 0x00000253F9045C30, 16 bytes long.
 Data: <H   S           > 48 E7 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253F903FF90, 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 0x00000253F90458C0, 16 bytes long.
 Data: <    S           > 20 E7 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000253F9045EB0, 16 bytes long.
 Data: <    S           > F8 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000253F9045690, 16 bytes long.
 Data: <    S           > D0 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000253F9045E10, 16 bytes long.
 Data: <    S           > A8 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000253F9045AA0, 16 bytes long.
 Data: <    S           > 80 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000253F9045640, 16 bytes long.
 Data: <X   S           > 58 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000253F903F8D0, 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 0x00000253F9045DC0, 16 bytes long.
 Data: <0   S           > 30 E6 03 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000253F903E630, 320 bytes long.
 Data: < ]  S       S   > C0 5D 04 F9 53 02 00 00 D0 F8 03 F9 53 02 00 00 
{274} normal block at 0x00000253F9045D70, 16 bytes long.
 Data: <pe  S           > 70 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000253F9045E60, 16 bytes long.
 Data: <He  S           > 48 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253F903FC90, 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 0x00000253F9046090, 16 bytes long.
 Data: < e  S           > 20 65 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000253F90404D0, 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 0x00000253F9045730, 16 bytes long.
 Data: <hd  S           > 68 64 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253F90455F0, 16 bytes long.
 Data: <@d  S           > 40 64 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000253F9045FA0, 16 bytes long.
 Data: < d  S           > 18 64 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000253F9045B90, 16 bytes long.
 Data: < c  S           > F0 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000253F9045A00, 16 bytes long.
 Data: < c  S           > C8 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000253F9045D20, 16 bytes long.
 Data: < c  S           > A0 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000253F9045CD0, 16 bytes long.
 Data: <pJ  S           > 70 4A 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000253F9044A70, 40 bytes long.
 Data: < \  S       S   > D0 5C 04 F9 53 02 00 00 B0 90 03 F9 53 02 00 00 
{260} normal block at 0x00000253F9046220, 16 bytes long.
 Data: < c  S           > 80 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000253F90455A0, 16 bytes long.
 Data: <Xc  S           > 58 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000253F903FF30, 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 0x00000253F9046130, 16 bytes long.
 Data: <0c  S           > 30 63 04 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000253F9046330, 992 bytes long.
 Data: <0a  S   0   S   > 30 61 04 F9 53 02 00 00 30 FF 03 F9 53 02 00 00 
{92} normal block at 0x00000253F90405F0, 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 0x00000253F903ED50, 16 bytes long.
 Data: <    S           > A0 DC 02 F9 53 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000253F902DCA0, 40 bytes long.
 Data: <P   S       S   > 50 ED 03 F9 53 02 00 00 F0 05 04 F9 53 02 00 00 
{69} normal block at 0x00000253F903EA80, 16 bytes long.
 Data: <                > 80 EA E7 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000253F903EB20, 16 bytes long.
 Data: <@               > 40 E9 E7 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000253F903F610, 16 bytes long.
 Data: < W              > F8 57 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000253F903F5C0, 16 bytes long.
 Data: < W              > D8 57 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000253F903ECB0, 16 bytes long.
 Data: <P               > 50 04 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000253F903F2F0, 16 bytes long.
 Data: <0               > 30 04 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000253F903EDF0, 16 bytes long.
 Data: <                > E0 02 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000253F903E8F0, 16 bytes long.
 Data: <                > 10 04 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000253F903EF80, 16 bytes long.
 Data: <p               > 70 04 E4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000253F903E850, 16 bytes long.
 Data: <                > 18 C0 E2 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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