Task 38647635

Name test_522-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND5379_0
Workunit 31592362
Created 23 Oct 2026, 20:15:51 UTC
Sent 23 Oct 2026, 20:42:22 UTC
Report deadline 28 Oct 2026, 20:42:22 UTC
Received 23 Oct 2026, 21:57:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654837
Run time 38 min 23 sec
CPU time 38 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 563.60 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:10:21 (26940): wrapper (7.9.26016): starting
16:10:21 (26940): 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
16:10:26 (26940): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:10:26 (26940): 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.
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
16:55:49 (26940): C:/Windows/system32/cmd.exe exited; CPU time 2303.359375
16:55:49 (26940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 55226645 bytes.
Dumping objects ->
{3835519} normal block at 0x0000021F4A3ED140, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000021F4A3EC340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000021F4A3EC810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000021F486847C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000021F48684670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x0000021F4A438C90, 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) : {3835431} normal block at 0x0000021F4867F2C0, 8 bytes long.
 Data: <  &#183;H    > 00 00 B7 48 1F 02 00 00 
{3833957} normal block at 0x0000021F4867EFA0, 8 bytes long.
 Data: <P!mH    > 50 21 6D 48 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021F486807A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021F48675F70, 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 0x0000021F48685C60, 16 bytes long.
 Data: <&#216;ThH            > D8 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021F48686200, 16 bytes long.
 Data: <&#176;ThH            > B0 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021F486803B0, 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 0x0000021F486863E0, 16 bytes long.
 Data: < ThH            > 88 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021F48685990, 16 bytes long.
 Data: <`ThH            > 60 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021F48686110, 16 bytes long.
 Data: <8ThH            > 38 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F48685FD0, 16 bytes long.
 Data: < ThH            > 10 54 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021F48684830, 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 0x0000021F48686430, 16 bytes long.
 Data: < &#142;gH            > 88 8E 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F4867F930, 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 0x0000021F48685AD0, 16 bytes long.
 Data: <`&#142;gH            > 60 8E 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021F48685EE0, 16 bytes long.
 Data: <8&#142;gH            > 38 8E 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021F48686570, 16 bytes long.
 Data: < &#142;gH            > 10 8E 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F486857B0, 16 bytes long.
 Data: <&#232; gH            > E8 8D 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021F48685E90, 16 bytes long.
 Data: <&#192; gH            > C0 8D 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021F486858A0, 16 bytes long.
 Data: <  gH            > 98 8D 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021F4867FED0, 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 0x0000021F48685C10, 16 bytes long.
 Data: <p gH            > 70 8D 67 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021F48678D70, 320 bytes long.
 Data: < \hH    &#208;&#254;gH    > 10 5C 68 48 1F 02 00 00 D0 FE 67 48 1F 02 00 00 
{274} normal block at 0x0000021F486860C0, 16 bytes long.
 Data: <&#240;ShH            > F0 53 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021F48685940, 16 bytes long.
 Data: <&#200;ShH            > C8 53 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021F4867FE70, 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 0x0000021F486864D0, 16 bytes long.
 Data: <&#160;ShH            > A0 53 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F48680410, 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 0x0000021F48685BC0, 16 bytes long.
 Data: <&#232;RhH            > E8 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F486861B0, 16 bytes long.
 Data: <&#192;RhH            > C0 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021F48685800, 16 bytes long.
 Data: < RhH            > 98 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021F48686070, 16 bytes long.
 Data: <pRhH            > 70 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F486862F0, 16 bytes long.
 Data: <HRhH            > 48 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021F4867EA50, 16 bytes long.
 Data: < RhH            > 20 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F4867EFF0, 16 bytes long.
 Data: <&#224;FhH            > E0 46 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021F486846E0, 40 bytes long.
 Data: <&#240;&#239;gH     &#140;CJ    > F0 EF 67 48 1F 02 00 00 90 8C 43 4A 1F 02 00 00 
{260} normal block at 0x0000021F4867E8C0, 16 bytes long.
 Data: < RhH            > 00 52 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021F4867E960, 16 bytes long.
 Data: <&#216;QhH            > D8 51 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021F4867FA50, 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 0x0000021F4867EAA0, 16 bytes long.
 Data: <&#176;QhH            > B0 51 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021F486851B0, 992 bytes long.
 Data: <&#160;&#234;gH    P&#250;gH    > A0 EA 67 48 1F 02 00 00 50 FA 67 48 1F 02 00 00 
{92} normal block at 0x0000021F4867F870, 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 0x0000021F4867F1D0, 16 bytes long.
 Data: < EhH            > 20 45 68 48 1F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021F48684520, 40 bytes long.
 Data: <&#208;&#241;gH    p&#248;gH    > D0 F1 67 48 1F 02 00 00 70 F8 67 48 1F 02 00 00 
{69} normal block at 0x0000021F4867E5A0, 16 bytes long.
 Data: < &#234;N&#151;&#246;           > 80 EA 4E 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021F4867F130, 16 bytes long.
 Data: <@&#233;N&#151;&#246;           > 40 E9 4E 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021F4867E640, 16 bytes long.
 Data: <&#248;WK&#151;&#246;           > F8 57 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021F4867F270, 16 bytes long.
 Data: <&#216;WK&#151;&#246;           > D8 57 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021F4867E550, 16 bytes long.
 Data: <P K&#151;&#246;           > 50 04 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021F4867E730, 16 bytes long.
 Data: <0 K&#151;&#246;           > 30 04 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021F4867EE60, 16 bytes long.
 Data: <&#224; K&#151;&#246;           > E0 02 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021F4867F3B0, 16 bytes long.
 Data: <  K&#151;&#246;           > 10 04 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021F4867EBE0, 16 bytes long.
 Data: <p K&#151;&#246;           > 70 04 4B 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021F4867EF50, 16 bytes long.
 Data: < &#192;I&#151;&#246;           > 18 C0 49 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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