Task 38686526

Name test_364-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4325_0
Workunit 31627957
Created 28 Oct 2026, 3:03:20 UTC
Sent 28 Oct 2026, 3:03:25 UTC
Report deadline 2 Nov 2026, 3:03:25 UTC
Received 28 Oct 2026, 4:48:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 9 sec
CPU time 34 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,977.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.98 MB
Peak swap size 5.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:11:32 (109632): wrapper (7.9.26016): starting
23:11:32 (109632): 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
23:11:34 (109632): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:11:34 (109632): 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 'E:\ProgramData\BOINC\slots\1\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 'E:\ProgramData\BOINC\slots\1\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
23:47:45 (109632): C:/Windows/system32/cmd.exe exited; CPU time 2050.390625
23:47:45 (109632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 35236611 bytes.
Dumping objects ->
{3835286} normal block at 0x00000187D0170080, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000187D0170400, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000187D016FEC0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x00000187CE4E6F80, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000187CE4E6F10, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x00000187D01BB910, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x00000187CE54C940, 141 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) : {3835197} normal block at 0x00000187CE4DECD0, 8 bytes long.
 Data: <  &#142;&#206;&#135;   > 00 00 8E CE 87 01 00 00 
{3834570} normal block at 0x00000187CE54CA10, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000187CE4DF270, 8 bytes long.
 Data: <pi!&#208;&#135;   > 70 69 21 D0 87 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000187CE4E3420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000187CE4D84C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000187CE4E80E0, 16 bytes long.
 Data: < &#134;N&#206;&#135;           > 08 86 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000187CE4E7A50, 16 bytes long.
 Data: <&#224;&#133;N&#206;&#135;           > E0 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000187CE4E1110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000187CE4E8090, 16 bytes long.
 Data: <&#184;&#133;N&#206;&#135;           > B8 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000187CE4E7FA0, 16 bytes long.
 Data: < &#133;N&#206;&#135;           > 90 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000187CE4E7F50, 16 bytes long.
 Data: <h&#133;N&#206;&#135;           > 68 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000187CE4E7A00, 16 bytes long.
 Data: <@&#133;N&#206;&#135;           > 40 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000187CE4E6D50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000187CE4E7DC0, 16 bytes long.
 Data: <8&#190;L&#206;&#135;           > 38 BE 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000187CE4E16B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000187CE4E7D70, 16 bytes long.
 Data: < &#190;L&#206;&#135;           > 10 BE 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000187CE4E7AA0, 16 bytes long.
 Data: <&#232;&#189;L&#206;&#135;           > E8 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000187CE4E8220, 16 bytes long.
 Data: <&#192;&#189;L&#206;&#135;           > C0 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000187CE4E7820, 16 bytes long.
 Data: < &#189;L&#206;&#135;           > 98 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000187CE4E7BE0, 16 bytes long.
 Data: <p&#189;L&#206;&#135;           > 70 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000187CE4E79B0, 16 bytes long.
 Data: <H&#189;L&#206;&#135;           > 48 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000187CE4E0FF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000187CE4E7D20, 16 bytes long.
 Data: < &#189;L&#206;&#135;           > 20 BD 4C CE 87 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000187CE4CBD20, 320 bytes long.
 Data: < }N&#206;&#135;   &#240; N&#206;&#135;   > 20 7D 4E CE 87 01 00 00 F0 0F 4E CE 87 01 00 00 
{276} normal block at 0x00000187CE4E7960, 16 bytes long.
 Data: < &#133;N&#206;&#135;           > 20 85 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000187CE4E7910, 16 bytes long.
 Data: <&#248;&#132;N&#206;&#135;           > F8 84 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000187CE4E0F30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000187CE4E7C80, 16 bytes long.
 Data: <&#208;&#132;N&#206;&#135;           > D0 84 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000187CE4E1710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000187CE4E7780, 16 bytes long.
 Data: < &#132;N&#206;&#135;           > 18 84 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000187CE4E7EB0, 16 bytes long.
 Data: <&#240;&#131;N&#206;&#135;           > F0 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000187CE4E76E0, 16 bytes long.
 Data: <&#200;&#131;N&#206;&#135;           > C8 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000187CE4E78C0, 16 bytes long.
 Data: <&#160;&#131;N&#206;&#135;           > A0 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000187CE4E7CD0, 16 bytes long.
 Data: <x&#131;N&#206;&#135;           > 78 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000187CE4E7B90, 16 bytes long.
 Data: <P&#131;N&#206;&#135;           > 50 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000187CE4E7E60, 16 bytes long.
 Data: <&#160;nN&#206;&#135;           > A0 6E 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000187CE4E6EA0, 40 bytes long.
 Data: <`~N&#206;&#135;    &#185; &#208;&#135;   > 60 7E 4E CE 87 01 00 00 10 B9 1B D0 87 01 00 00 
{262} normal block at 0x00000187CE4E7E10, 16 bytes long.
 Data: <0&#131;N&#206;&#135;           > 30 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000187CE4E77D0, 16 bytes long.
 Data: < &#131;N&#206;&#135;           > 08 83 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000187CE4E0F90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000187CE4E75A0, 16 bytes long.
 Data: <&#224;&#130;N&#206;&#135;           > E0 82 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000187CE4E82E0, 992 bytes long.
 Data: <&#160;uN&#206;&#135;     N&#206;&#135;   > A0 75 4E CE 87 01 00 00 90 0F 4E CE 87 01 00 00 
{94} normal block at 0x00000187CE4E1530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000187CE4DF9A0, 16 bytes long.
 Data: <&#192;mN&#206;&#135;           > C0 6D 4E CE 87 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000187CE4E6DC0, 40 bytes long.
 Data: <&#160;&#249;M&#206;&#135;   0 N&#206;&#135;   > A0 F9 4D CE 87 01 00 00 30 15 4E CE 87 01 00 00 
{71} normal block at 0x00000187CE4DF040, 16 bytes long.
 Data: < &#234;&#155;&#216;&#246;           > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000187CE4DF7C0, 16 bytes long.
 Data: <@&#233;&#155;&#216;&#246;           > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000187CE4DF8B0, 16 bytes long.
 Data: <&#248;W &#216;&#246;           > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000187CE4DEBE0, 16 bytes long.
 Data: <&#216;W &#216;&#246;           > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000187CE4DF720, 16 bytes long.
 Data: <P  &#216;&#246;           > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000187CE4DF950, 16 bytes long.
 Data: <0  &#216;&#246;           > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000187CE4DEF50, 16 bytes long.
 Data: <&#224;  &#216;&#246;           > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000187CE4DF860, 16 bytes long.
 Data: <   &#216;&#246;           > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000187CE4DEEB0, 16 bytes long.
 Data: <p  &#216;&#246;           > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000187CE4DF540, 16 bytes long.
 Data: < &#192;&#150;&#216;&#246;           > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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