Task 38672416

Name test_743-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0875_1
Workunit 31614525
Created 25 Oct 2026, 23:21:13 UTC
Sent 25 Oct 2026, 23:21:30 UTC
Report deadline 30 Oct 2026, 23:21:30 UTC
Received 26 Oct 2026, 0:34:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649650
Run time 20 min 55 sec
CPU time 19 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.77 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:19 (7744): wrapper (7.9.26016): starting
19:10:19 (7744): 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
19:10:20 (7744): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:10:20 (7744): 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
19:30:40 (7744): C:/Windows/system32/cmd.exe exited; CPU time 1187.140625
19:30:40 (7744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15436841 bytes.
Dumping objects ->
{3835569} normal block at 0x000002505FF23D00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000002505FF23A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002505FF239F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000002505FF23C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000002505FF23C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000025061C6A730, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000002505FF0D6D0, 235 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) : {3835480} normal block at 0x000002505FF1EB60, 8 bytes long.
 Data: <  &#236;_P   > 00 00 EC 5F 50 02 00 00 
{3834703} normal block at 0x000002505FF0D800, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002505FF1EF20, 8 bytes long.
 Data: <&#224;&#234;&#255;_P   > E0 EA FF 5F 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002505FF206D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002505FF16620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002505FF24930, 16 bytes long.
 Data: <X\&#242;_P           > 58 5C F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002505FF24C50, 16 bytes long.
 Data: <0\&#242;_P           > 30 5C F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002505FF1F700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002505FF24B60, 16 bytes long.
 Data: < \&#242;_P           > 08 5C F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002505FF24CF0, 16 bytes long.
 Data: <&#224;[&#242;_P           > E0 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002505FF25100, 16 bytes long.
 Data: <&#184;[&#242;_P           > B8 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002505FF248E0, 16 bytes long.
 Data: < [&#242;_P           > 90 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002505FF0ED00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002505FF25420, 16 bytes long.
 Data: < &#236;&#240;_P           > 98 EC F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002505FF1FA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002505FF253D0, 16 bytes long.
 Data: <p&#236;&#240;_P           > 70 EC F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002505FF249D0, 16 bytes long.
 Data: <H&#236;&#240;_P           > 48 EC F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002505FF25380, 16 bytes long.
 Data: < &#236;&#240;_P           > 20 EC F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002505FF25470, 16 bytes long.
 Data: <&#248;&#235;&#240;_P           > F8 EB F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002505FF24C00, 16 bytes long.
 Data: <&#208;&#235;&#240;_P           > D0 EB F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002505FF24A20, 16 bytes long.
 Data: <&#168;&#235;&#240;_P           > A8 EB F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002505FF1F880, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002505FF24BB0, 16 bytes long.
 Data: < &#235;&#240;_P           > 80 EB F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002505FF0EB80, 320 bytes long.
 Data: <&#176;K&#242;_P    &#248;&#241;_P   > B0 4B F2 5F 50 02 00 00 80 F8 F1 5F 50 02 00 00 
{273} normal block at 0x000002505FF25240, 16 bytes long.
 Data: <p[&#242;_P           > 70 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002505FF24E30, 16 bytes long.
 Data: <H[&#242;_P           > 48 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002505FF1F2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002505FF24890, 16 bytes long.
 Data: < [&#242;_P           > 20 5B F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002505FF1F280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002505FF25330, 16 bytes long.
 Data: <hZ&#242;_P           > 68 5A F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002505FF245C0, 16 bytes long.
 Data: <@Z&#242;_P           > 40 5A F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002505FF24980, 16 bytes long.
 Data: < Z&#242;_P           > 18 5A F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002505FF24570, 16 bytes long.
 Data: <&#240;Y&#242;_P           > F0 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002505FF252E0, 16 bytes long.
 Data: <&#200;Y&#242;_P           > C8 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002505FF24B10, 16 bytes long.
 Data: <&#160;Y&#242;_P           > A0 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002505FF25060, 16 bytes long.
 Data: <&#224;&#209;&#240;_P           > E0 D1 F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002505FF0D1E0, 40 bytes long.
 Data: <`P&#242;_P   0&#167;&#198;aP   > 60 50 F2 5F 50 02 00 00 30 A7 C6 61 50 02 00 00 
{259} normal block at 0x000002505FF25290, 16 bytes long.
 Data: < Y&#242;_P           > 80 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002505FF24750, 16 bytes long.
 Data: <XY&#242;_P           > 58 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002505FF1F820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002505FF24840, 16 bytes long.
 Data: <0Y&#242;_P           > 30 59 F2 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002505FF25930, 992 bytes long.
 Data: <@H&#242;_P    &#248;&#241;_P   > 40 48 F2 5F 50 02 00 00 20 F8 F1 5F 50 02 00 00 
{91} normal block at 0x000002505FF1FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002505FF1EA20, 16 bytes long.
 Data: <&#224;&#229;&#240;_P           > E0 E5 F0 5F 50 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002505FF0E5E0, 40 bytes long.
 Data: < &#234;&#241;_P   @&#255;&#241;_P   > 20 EA F1 5F 50 02 00 00 40 FF F1 5F 50 02 00 00 
{68} normal block at 0x000002505FF1EB10, 16 bytes long.
 Data: < &#234;&#245; &#246;           > 80 EA F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002505FF1E5C0, 16 bytes long.
 Data: <@&#233;&#245; &#246;           > 40 E9 F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002505FF1E430, 16 bytes long.
 Data: <&#248;W&#242; &#246;           > F8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002505FF1E200, 16 bytes long.
 Data: <&#216;W&#242; &#246;           > D8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002505FF1ECF0, 16 bytes long.
 Data: <P &#242; &#246;           > 50 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002505FF1F100, 16 bytes long.
 Data: <0 &#242; &#246;           > 30 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002505FF1E890, 16 bytes long.
 Data: <&#224; &#242; &#246;           > E0 02 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002505FF1ED40, 16 bytes long.
 Data: <  &#242; &#246;           > 10 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002505FF1EDE0, 16 bytes long.
 Data: <p &#242; &#246;           > 70 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002505FF1E840, 16 bytes long.
 Data: < &#192;&#240; &#246;           > 18 C0 F0 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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