Task 38681766

Name test_635-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6699_0
Workunit 31623418
Created 27 Oct 2026, 5:15:25 UTC
Sent 27 Oct 2026, 5:15:27 UTC
Report deadline 1 Nov 2026, 5:15:27 UTC
Received 27 Oct 2026, 9:30:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 17 sec
CPU time 33 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.04 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:54:31 (20492): wrapper (7.9.26016): starting
04:54:31 (20492): 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
04:54:33 (20492): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:54:33 (20492): 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\11\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\11\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
05:29:27 (20492): C:/Windows/system32/cmd.exe exited; CPU time 2021.109375
05:29:27 (20492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41811387 bytes.
Dumping objects ->
{3835559} normal block at 0x0000019891D1E070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000019890064C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000019890064BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000019890064B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000019890064F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000019891D66400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x00000198900BD610, 140 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) : {3835470} normal block at 0x000001989005DF90, 8 bytes long.
 Data: <  G     > 00 00 47 90 98 01 00 00 
{3834709} normal block at 0x00000198900BDF00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001989005DF40, 8 bytes long.
 Data: <0&#235;      > 30 EB 13 90 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019890061420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001989004D520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000019890066520, 16 bytes long.
 Data: <&#168;i              > A8 69 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000198900657B0, 16 bytes long.
 Data: < i              > 80 69 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001989005FD70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000019890066160, 16 bytes long.
 Data: <Xi              > 58 69 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000198900665C0, 16 bytes long.
 Data: <0i              > 30 69 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019890065F80, 16 bytes long.
 Data: < i              > 08 69 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019890065D50, 16 bytes long.
 Data: <&#224;h              > E0 68 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019890064C90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000198900664D0, 16 bytes long.
 Data: <&#184;&#187;              > B8 BB 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001989005F890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000198900662A0, 16 bytes long.
 Data: < &#187;              > 90 BB 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019890065DF0, 16 bytes long.
 Data: <h&#187;              > 68 BB 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019890065D00, 16 bytes long.
 Data: <@&#187;              > 40 BB 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019890065C10, 16 bytes long.
 Data: < &#187;              > 18 BB 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019890065F30, 16 bytes long.
 Data: <&#240;&#186;              > F0 BA 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019890065B20, 16 bytes long.
 Data: <&#200;&#186;              > C8 BA 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001989005F350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000019890065BC0, 16 bytes long.
 Data: <&#160;&#186;              > A0 BA 04 90 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001989004BAA0, 320 bytes long.
 Data: <&#192;[      P&#243;      > C0 5B 06 90 98 01 00 00 50 F3 05 90 98 01 00 00 
{278} normal block at 0x0000019890066480, 16 bytes long.
 Data: <&#192;h              > C0 68 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019890066390, 16 bytes long.
 Data: < h              > 98 68 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000198900600D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000019890066430, 16 bytes long.
 Data: <ph              > 70 68 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001989005F2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000019890066340, 16 bytes long.
 Data: <&#184;g              > B8 67 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019890066570, 16 bytes long.
 Data: < g              > 90 67 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000198900663E0, 16 bytes long.
 Data: <hg              > 68 67 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019890065C60, 16 bytes long.
 Data: <@g              > 40 67 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000198900662F0, 16 bytes long.
 Data: < g              > 18 67 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019890065AD0, 16 bytes long.
 Data: <&#240;f              > F0 66 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019890065940, 16 bytes long.
 Data: < M              > 00 4D 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019890064D00, 40 bytes long.
 Data: <@Y       d&#214;&#145;    > 40 59 06 90 98 01 00 00 00 64 D6 91 98 01 00 00 
{264} normal block at 0x0000019890065760, 16 bytes long.
 Data: <&#208;f              > D0 66 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019890066250, 16 bytes long.
 Data: <&#168;f              > A8 66 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001989005F6B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000198900661B0, 16 bytes long.
 Data: < f              > 80 66 06 90 98 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019890066680, 992 bytes long.
 Data: <&#176;a      &#176;&#246;      > B0 61 06 90 98 01 00 00 B0 F6 05 90 98 01 00 00 
{96} normal block at 0x000001989005FF50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001989005D450, 16 bytes long.
 Data: <&#176;&#241;              > B0 F1 05 90 98 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001989005F1B0, 40 bytes long.
 Data: <P&#212;      P&#255;      > 50 D4 05 90 98 01 00 00 50 FF 05 90 98 01 00 00 
{73} normal block at 0x000001989005DB80, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001989005D400, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001989005DEF0, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001989005D860, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001989005D7C0, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001989005DB30, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001989005D8B0, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001989005DC20, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001989005D3B0, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001989005D360, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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