Task 38679350

Name test_432-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8011_0
Workunit 31621126
Created 26 Oct 2026, 20:15:35 UTC
Sent 26 Oct 2026, 20:15:42 UTC
Report deadline 31 Oct 2026, 20:15:42 UTC
Received 26 Oct 2026, 21:02:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 40 min 58 sec
CPU time 37 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.20 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:22:47 (10740): wrapper (7.9.26016): starting
21:22:47 (10740): 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
21:22:51 (10740): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:22:51 (10740): 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 'D:\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 'D:\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
22:02:01 (10740): C:/Windows/system32/cmd.exe exited; CPU time 2265.953125
22:02:01 (10740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 40752084 bytes.
Dumping objects ->
{3835280} normal block at 0x000001C60D8C13A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001C60D8C0A00, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001C60D8C0B50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000001C60D8C0D10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001C60D8C0D80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000001C60DA04C20, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001C60DA1D9A0, 85 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) : {3835191} normal block at 0x000001C60BEC8FC0, 8 bytes long.
 Data: <  &#233; &#198;   > 00 00 E9 0B C6 01 00 00 
{3834566} normal block at 0x000001C60DA1CDC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001C60BEC8890, 8 bytes long.
 Data: <&#224;&#221;&#161; &#198;   > E0 DD A1 0D C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C60BED3BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C60BEBBD70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C60BED5650, 16 bytes long.
 Data: <&#184;\&#237; &#198;           > B8 5C ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C60BED5380, 16 bytes long.
 Data: < \&#237; &#198;           > 90 5C ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C60BECDCC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C60BED5240, 16 bytes long.
 Data: <h\&#237; &#198;           > 68 5C ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C60BED51A0, 16 bytes long.
 Data: <@\&#237; &#198;           > 40 5C ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C60BED4A70, 16 bytes long.
 Data: < \&#237; &#198;           > 18 5C ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C60BED4FC0, 16 bytes long.
 Data: <&#240;[&#237; &#198;           > F0 5B ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C60BECE3C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C60BED49D0, 16 bytes long.
 Data: <(h&#235; &#198;           > 28 68 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C60BECD780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C60BED5100, 16 bytes long.
 Data: < h&#235; &#198;           > 00 68 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C60BED57E0, 16 bytes long.
 Data: <&#216;g&#235; &#198;           > D8 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C60BED4F70, 16 bytes long.
 Data: <&#176;g&#235; &#198;           > B0 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C60BED4F20, 16 bytes long.
 Data: < g&#235; &#198;           > 88 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C60BED5880, 16 bytes long.
 Data: <`g&#235; &#198;           > 60 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C60BED4B60, 16 bytes long.
 Data: <8g&#235; &#198;           > 38 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C60BECD8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C60BED51F0, 16 bytes long.
 Data: < g&#235; &#198;           > 10 67 EB 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C60BEB6710, 320 bytes long.
 Data: <&#240;Q&#237; &#198;   &#160;&#216;&#236; &#198;   > F0 51 ED 0B C6 01 00 00 A0 D8 EC 0B C6 01 00 00 
{275} normal block at 0x000001C60BED5740, 16 bytes long.
 Data: <&#208;[&#237; &#198;           > D0 5B ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C60BED5790, 16 bytes long.
 Data: <&#168;[&#237; &#198;           > A8 5B ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C60BECDC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C60BED4E30, 16 bytes long.
 Data: < [&#237; &#198;           > 80 5B ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C60BECDC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C60BED52E0, 16 bytes long.
 Data: <&#200;Z&#237; &#198;           > C8 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C60BED56F0, 16 bytes long.
 Data: <&#160;Z&#237; &#198;           > A0 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C60BED4BB0, 16 bytes long.
 Data: <xZ&#237; &#198;           > 78 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C60BED4DE0, 16 bytes long.
 Data: <PZ&#237; &#198;           > 50 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C60BED5920, 16 bytes long.
 Data: <(Z&#237; &#198;           > 28 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C60BED50B0, 16 bytes long.
 Data: < Z&#237; &#198;           > 00 5A ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C60BED58D0, 16 bytes long.
 Data: <P&#227;&#236; &#198;           > 50 E3 EC 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C60BECE350, 40 bytes long.
 Data: <&#208;X&#237; &#198;    L&#160; &#198;   > D0 58 ED 0B C6 01 00 00 20 4C A0 0D C6 01 00 00 
{261} normal block at 0x000001C60BED5150, 16 bytes long.
 Data: <&#224;Y&#237; &#198;           > E0 59 ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C60BED4D40, 16 bytes long.
 Data: <&#184;Y&#237; &#198;           > B8 59 ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C60BECD180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C60BED4B10, 16 bytes long.
 Data: < Y&#237; &#198;           > 90 59 ED 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C60BED5990, 992 bytes long.
 Data: < K&#237; &#198;    &#209;&#236; &#198;   > 10 4B ED 0B C6 01 00 00 80 D1 EC 0B C6 01 00 00 
{93} normal block at 0x000001C60BECDD20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C60BEC8B10, 16 bytes long.
 Data: < &#232;&#236; &#198;           > 20 E8 EC 0B C6 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C60BECE820, 40 bytes long.
 Data: < &#139;&#236; &#198;    &#221;&#236; &#198;   > 10 8B EC 0B C6 01 00 00 20 DD EC 0B C6 01 00 00 
{70} normal block at 0x000001C60BEC8E30, 16 bytes long.
 Data: < &#234;Q&#140;&#247;           > 80 EA 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C60BEC8F20, 16 bytes long.
 Data: <@&#233;Q&#140;&#247;           > 40 E9 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C60BEC9380, 16 bytes long.
 Data: <&#248;WN&#140;&#247;           > F8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C60BEC9100, 16 bytes long.
 Data: <&#216;WN&#140;&#247;           > D8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C60BEC8DE0, 16 bytes long.
 Data: <P N&#140;&#247;           > 50 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C60BEC87F0, 16 bytes long.
 Data: <0 N&#140;&#247;           > 30 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C60BEC8980, 16 bytes long.
 Data: <&#224; N&#140;&#247;           > E0 02 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C60BEC8C00, 16 bytes long.
 Data: <  N&#140;&#247;           > 10 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C60BEC8520, 16 bytes long.
 Data: <p N&#140;&#247;           > 70 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C60BEC8D90, 16 bytes long.
 Data: < &#192;L&#140;&#247;           > 18 C0 4C 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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