Task 38657361

Name test_456-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7311_0
Workunit 31601018
Created 24 Oct 2026, 11:34:59 UTC
Sent 24 Oct 2026, 11:43:34 UTC
Report deadline 29 Oct 2026, 11:43:34 UTC
Received 24 Oct 2026, 12:38:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 44 min 5 sec
CPU time 36 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.67 MB
Peak swap size 2.36 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:56:36 (7916): wrapper (7.9.26016): starting
13:56:36 (7916): 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
13:56:38 (7916): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:56:38 (7916): 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
14:38:33 (7916): C:/Windows/system32/cmd.exe exited; CPU time 2218.343750
14:38:33 (7916): 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: 31056917 bytes.
Dumping objects ->
{3835271} normal block at 0x0000025B5260D6E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000025B5260CE20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000025B50A241D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000025B50A24160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000025B50A240F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000025B52655A70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000025B5266DD70, 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) : {3835182} normal block at 0x0000025B50A1E440, 8 bytes long.
 Data: <   P[   > 00 00 98 50 5B 02 00 00 
{3834562} normal block at 0x0000025B5266E030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000025B50A1E9E0, 8 bytes long.
 Data: < &#214;&#160;P[   > 90 D6 A0 50 5B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025B50A20960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025B50A15320, 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 0x0000025B50A24C20, 16 bytes long.
 Data: <(]&#162;P[           > 28 5D A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025B50A24F90, 16 bytes long.
 Data: < ]&#162;P[           > 00 5D A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025B50A1F090, 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 0x0000025B50A25760, 16 bytes long.
 Data: <&#216;\&#162;P[           > D8 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025B50A24D10, 16 bytes long.
 Data: <&#176;\&#162;P[           > B0 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025B50A24A90, 16 bytes long.
 Data: < \&#162;P[           > 88 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025B50A25490, 16 bytes long.
 Data: <`\&#162;P[           > 60 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025B50A24320, 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 0x0000025B50A25210, 16 bytes long.
 Data: <H&#180;&#160;P[           > 48 B4 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025B50A1F6F0, 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 0x0000025B50A25580, 16 bytes long.
 Data: < &#180;&#160;P[           > 20 B4 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025B50A253F0, 16 bytes long.
 Data: <&#248;&#179;&#160;P[           > F8 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025B50A253A0, 16 bytes long.
 Data: <&#208;&#179;&#160;P[           > D0 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025B50A24A40, 16 bytes long.
 Data: <&#168;&#179;&#160;P[           > A8 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025B50A25850, 16 bytes long.
 Data: < &#179;&#160;P[           > 80 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025B50A25620, 16 bytes long.
 Data: <X&#179;&#160;P[           > 58 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025B50A1EDF0, 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 0x0000025B50A25350, 16 bytes long.
 Data: <0&#179;&#160;P[           > 30 B3 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025B50A0B330, 320 bytes long.
 Data: <PS&#162;P[   &#240;&#237;&#161;P[   > 50 53 A2 50 5B 02 00 00 F0 ED A1 50 5B 02 00 00 
{274} normal block at 0x0000025B50A25800, 16 bytes long.
 Data: <@\&#162;P[           > 40 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025B50A24BD0, 16 bytes long.
 Data: < \&#162;P[           > 18 5C A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025B50A1EE50, 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 0x0000025B50A24EF0, 16 bytes long.
 Data: <&#240;[&#162;P[           > F0 5B A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025B50A1F0F0, 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 0x0000025B50A256C0, 16 bytes long.
 Data: <8[&#162;P[           > 38 5B A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025B50A24C70, 16 bytes long.
 Data: < [&#162;P[           > 10 5B A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025B50A25990, 16 bytes long.
 Data: <&#232;Z&#162;P[           > E8 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025B50A25440, 16 bytes long.
 Data: <&#192;Z&#162;P[           > C0 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025B50A25030, 16 bytes long.
 Data: < Z&#162;P[           > 98 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025B50A251C0, 16 bytes long.
 Data: <pZ&#162;P[           > 70 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025B50A25530, 16 bytes long.
 Data: <&#224;D&#162;P[           > E0 44 A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025B50A244E0, 40 bytes long.
 Data: <0U&#162;P[   pZeR[   > 30 55 A2 50 5B 02 00 00 70 5A 65 52 5B 02 00 00 
{260} normal block at 0x0000025B50A25300, 16 bytes long.
 Data: <PZ&#162;P[           > 50 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025B50A252B0, 16 bytes long.
 Data: <(Z&#162;P[           > 28 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025B50A1ED90, 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 0x0000025B50A257B0, 16 bytes long.
 Data: < Z&#162;P[           > 00 5A A2 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025B50A25A00, 992 bytes long.
 Data: <&#176;W&#162;P[    &#237;&#161;P[   > B0 57 A2 50 5B 02 00 00 90 ED A1 50 5B 02 00 00 
{92} normal block at 0x0000025B50A1F690, 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 0x0000025B50A1E210, 16 bytes long.
 Data: < &#198;&#160;P[           > 00 C6 A0 50 5B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000025B50A0C600, 40 bytes long.
 Data: < &#226;&#161;P[    &#246;&#161;P[   > 10 E2 A1 50 5B 02 00 00 90 F6 A1 50 5B 02 00 00 
{69} normal block at 0x0000025B50A1E0D0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025B50A1E2B0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025B50A1EBC0, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025B50A1E120, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025B50A1DCC0, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025B50A1E1C0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025B50A1DEF0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025B50A1E3A0, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025B50A1E030, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025B50A1E3F0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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