Task 38688585

Name test_452-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3426_0
Workunit 31629923
Created 28 Oct 2026, 14:56:19 UTC
Sent 28 Oct 2026, 14:56:22 UTC
Report deadline 2 Nov 2026, 14:56:22 UTC
Received 28 Oct 2026, 15:47:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 24 min 54 sec
CPU time 22 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.66 MB
Peak swap size 10.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:15 (27152): wrapper (7.9.26016): starting
16:23:15 (27152): 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
16:23:16 (27152): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:16 (27152): 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\10\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\10\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.
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
16:46:38 (27152): C:/Windows/system32/cmd.exe exited; CPU time 1321.046875
16:46:38 (27152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 27825427 bytes.
Dumping objects ->
{3835202} normal block at 0x0000020DBDCFD650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000020DBDCFD260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000020DBDCFD810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000020DBDCFD110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000020DBBFF4F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000020DBDD44A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835114} normal block at 0x0000020DBBFEEFF0, 8 bytes long.
 Data: <  ?&#188;    > 00 00 3F BC 0D 02 00 00 
{3833965} normal block at 0x0000020DBBFEF680, 8 bytes long.
 Data: < >&#218;&#189;    > 10 3E DA BD 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020DBBFF1860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020DBBFE6410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000020DBBFF5EC0, 16 bytes long.
 Data: <&#248;Z&#255;&#187;            > F8 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020DBBFF69B0, 16 bytes long.
 Data: <&#208;Z&#255;&#187;            > D0 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020DBBFEDD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000020DBBFF65F0, 16 bytes long.
 Data: <&#168;Z&#255;&#187;            > A8 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020DBBFF6460, 16 bytes long.
 Data: < Z&#255;&#187;            > 80 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020DBBFF5E70, 16 bytes long.
 Data: <XZ&#255;&#187;            > 58 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020DBBFF6000, 16 bytes long.
 Data: <0Z&#255;&#187;            > 30 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DBBFF49E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000020DBBFF5E20, 16 bytes long.
 Data: < &#245;&#253;&#187;            > 98 F5 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DBBFED6F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000020DBBFF68C0, 16 bytes long.
 Data: <p&#245;&#253;&#187;            > 70 F5 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DBBFF60F0, 16 bytes long.
 Data: <H&#245;&#253;&#187;            > 48 F5 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020DBBFF6370, 16 bytes long.
 Data: < &#245;&#253;&#187;            > 20 F5 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DBBFF66E0, 16 bytes long.
 Data: <&#248;&#244;&#253;&#187;            > F8 F4 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020DBBFF6B90, 16 bytes long.
 Data: <&#208;&#244;&#253;&#187;            > D0 F4 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020DBBFF65A0, 16 bytes long.
 Data: <&#168;&#244;&#253;&#187;            > A8 F4 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DBBFED870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000020DBBFF5CE0, 16 bytes long.
 Data: < &#244;&#253;&#187;            > 80 F4 FD BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020DBBFDF480, 320 bytes long.
 Data: <&#224;\&#255;&#187;    p&#216;&#254;&#187;    > E0 5C FF BB 0D 02 00 00 70 D8 FE BB 0D 02 00 00 
{278} normal block at 0x0000020DBBFF60A0, 16 bytes long.
 Data: < Z&#255;&#187;            > 10 5A FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DBBFF64B0, 16 bytes long.
 Data: <&#232;Y&#255;&#187;            > E8 59 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DBBFEDED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000020DBBFF6690, 16 bytes long.
 Data: <&#192;Y&#255;&#187;            > C0 59 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020DBBFEDF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000020DBBFF6550, 16 bytes long.
 Data: < Y&#255;&#187;            > 08 59 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020DBBFF6050, 16 bytes long.
 Data: <&#224;X&#255;&#187;            > E0 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DBBFF6320, 16 bytes long.
 Data: <&#184;X&#255;&#187;            > B8 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020DBBFF6280, 16 bytes long.
 Data: < X&#255;&#187;            > 90 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DBBFF6910, 16 bytes long.
 Data: <hX&#255;&#187;            > 68 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020DBBFEF720, 16 bytes long.
 Data: <@X&#255;&#187;            > 40 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DBBFEF630, 16 bytes long.
 Data: <&#224;P&#255;&#187;            > E0 50 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020DBBFF50E0, 40 bytes long.
 Data: <0&#246;&#254;&#187;     J&#212;&#189;    > 30 F6 FE BB 0D 02 00 00 90 4A D4 BD 0D 02 00 00 
{264} normal block at 0x0000020DBBFEF310, 16 bytes long.
 Data: < X&#255;&#187;            > 20 58 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DBBFEF220, 16 bytes long.
 Data: <&#248;W&#255;&#187;            > F8 57 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020DBBFEDE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000020DBBFEF1D0, 16 bytes long.
 Data: <&#208;W&#255;&#187;            > D0 57 FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DBBFF57D0, 992 bytes long.
 Data: <&#208;&#241;&#254;&#187;    p&#222;&#254;&#187;    > D0 F1 FE BB 0D 02 00 00 70 DE FE BB 0D 02 00 00 
{96} normal block at 0x0000020DBBFEDBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000020DBBFEF5E0, 16 bytes long.
 Data: <&#208;M&#255;&#187;            > D0 4D FF BB 0D 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020DBBFF4DD0, 40 bytes long.
 Data: <&#224;&#245;&#254;&#187;    &#208;&#219;&#254;&#187;    > E0 F5 FE BB 0D 02 00 00 D0 DB FE BB 0D 02 00 00 
{73} normal block at 0x0000020DBBFEF810, 16 bytes long.
 Data: < &#234;7w&#247;           > 80 EA 37 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020DBBFEFAE0, 16 bytes long.
 Data: <@&#233;7w&#247;           > 40 E9 37 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020DBBFEF3B0, 16 bytes long.
 Data: <&#248;W4w&#247;           > F8 57 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020DBBFEF7C0, 16 bytes long.
 Data: <&#216;W4w&#247;           > D8 57 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020DBBFEFA90, 16 bytes long.
 Data: <P 4w&#247;           > 50 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020DBBFEF360, 16 bytes long.
 Data: <0 4w&#247;           > 30 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020DBBFEF6D0, 16 bytes long.
 Data: <&#224; 4w&#247;           > E0 02 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020DBBFEF2C0, 16 bytes long.
 Data: <  4w&#247;           > 10 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020DBBFEF9A0, 16 bytes long.
 Data: <p 4w&#247;           > 70 04 34 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DBBFEEE10, 16 bytes long.
 Data: < &#192;2w&#247;           > 18 C0 32 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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