Task 38660061

Name test_1879-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7191_0
Workunit 31603591
Created 24 Oct 2026, 13:44:42 UTC
Sent 24 Oct 2026, 17:04:19 UTC
Report deadline 29 Oct 2026, 17:04:19 UTC
Received 24 Oct 2026, 19:02:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 598225
Run time 32 min 57 sec
CPU time 31 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.18 MB
Peak swap size 6.88 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:06:39 (196512): wrapper (7.9.26016): starting
14:06:39 (196512): 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
14:06:40 (196512): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:06:40 (196512): 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
14:39:55 (196512): C:/Windows/system32/cmd.exe exited; CPU time 1895.015625
14:39:55 (196512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 35178893 bytes.
Dumping objects ->
{3835319} normal block at 0x00000285EF8CCE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x00000285EDB951C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x00000285EDB95150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x00000285EDB95070, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000285EDB95000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x00000285EF917710, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000285EDB8A480, 201 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) : {3835230} normal block at 0x00000285EDB8DAD0, 8 bytes long.
 Data: <   &#238;&#133;   > 00 00 05 EE 85 02 00 00 
{3834586} normal block at 0x00000285EDB8C240, 201 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 0x00000285EDB8D5D0, 8 bytes long.
 Data: <&#224;H&#154;&#239;&#133;   > E0 48 9A EF 85 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000285EDB91BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000285EDB86530, 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 0x00000285EDB96060, 16 bytes long.
 Data: <&#184;l&#185;&#237;&#133;           > B8 6C B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000285EDB96290, 16 bytes long.
 Data: < l&#185;&#237;&#133;           > 90 6C B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000285EDB8FFC0, 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 0x00000285EDB96330, 16 bytes long.
 Data: <hl&#185;&#237;&#133;           > 68 6C B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000285EDB967E0, 16 bytes long.
 Data: <@l&#185;&#237;&#133;           > 40 6C B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000285EDB96650, 16 bytes long.
 Data: < l&#185;&#237;&#133;           > 18 6C B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000285EDB95ED0, 16 bytes long.
 Data: <&#240;k&#185;&#237;&#133;           > F0 6B B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000285EDB95310, 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 0x00000285EDB95A70, 16 bytes long.
 Data: <(&#147;&#184;&#237;&#133;           > 28 93 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000285EDB8F300, 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 0x00000285EDB96600, 16 bytes long.
 Data: < &#147;&#184;&#237;&#133;           > 00 93 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000285EDB961A0, 16 bytes long.
 Data: <&#216;&#146;&#184;&#237;&#133;           > D8 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000285EDB95FC0, 16 bytes long.
 Data: <&#176;&#146;&#184;&#237;&#133;           > B0 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000285EDB96240, 16 bytes long.
 Data: < &#146;&#184;&#237;&#133;           > 88 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000285EDB95F20, 16 bytes long.
 Data: <`&#146;&#184;&#237;&#133;           > 60 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000285EDB96150, 16 bytes long.
 Data: <8&#146;&#184;&#237;&#133;           > 38 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000285EDB8F840, 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 0x00000285EDB965B0, 16 bytes long.
 Data: < &#146;&#184;&#237;&#133;           > 10 92 B8 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000285EDB89210, 320 bytes long.
 Data: <&#176;e&#185;&#237;&#133;   @&#248;&#184;&#237;&#133;   > B0 65 B9 ED 85 02 00 00 40 F8 B8 ED 85 02 00 00 
{276} normal block at 0x00000285EDB961F0, 16 bytes long.
 Data: <&#208;k&#185;&#237;&#133;           > D0 6B B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000285EDB96560, 16 bytes long.
 Data: <&#168;k&#185;&#237;&#133;           > A8 6B B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000285EDB8F4E0, 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 0x00000285EDB96100, 16 bytes long.
 Data: < k&#185;&#237;&#133;           > 80 6B B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000285EDB8F360, 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 0x00000285EDB95A20, 16 bytes long.
 Data: <&#200;j&#185;&#237;&#133;           > C8 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000285EDB96010, 16 bytes long.
 Data: <&#160;j&#185;&#237;&#133;           > A0 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000285EDB96880, 16 bytes long.
 Data: <xj&#185;&#237;&#133;           > 78 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000285EDB96790, 16 bytes long.
 Data: <Pj&#185;&#237;&#133;           > 50 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000285EDB959D0, 16 bytes long.
 Data: <(j&#185;&#237;&#133;           > 28 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000285EDB964C0, 16 bytes long.
 Data: < j&#185;&#237;&#133;           > 00 6A B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000285EDB96510, 16 bytes long.
 Data: < O&#185;&#237;&#133;           > 90 4F B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000285EDB94F90, 40 bytes long.
 Data: < e&#185;&#237;&#133;    w&#145;&#239;&#133;   > 10 65 B9 ED 85 02 00 00 10 77 91 EF 85 02 00 00 
{262} normal block at 0x00000285EDB96420, 16 bytes long.
 Data: <&#224;i&#185;&#237;&#133;           > E0 69 B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000285EDB963D0, 16 bytes long.
 Data: <&#184;i&#185;&#237;&#133;           > B8 69 B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000285EDB8F5A0, 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 0x00000285EDB96740, 16 bytes long.
 Data: < i&#185;&#237;&#133;           > 90 69 B9 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000285EDB96990, 992 bytes long.
 Data: <@g&#185;&#237;&#133;   &#160;&#245;&#184;&#237;&#133;   > 40 67 B9 ED 85 02 00 00 A0 F5 B8 ED 85 02 00 00 
{94} normal block at 0x00000285EDB8F2A0, 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 0x00000285EDB8D8A0, 16 bytes long.
 Data: < &#201;&#183;&#237;&#133;           > 00 C9 B7 ED 85 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000285EDB7C900, 40 bytes long.
 Data: <&#160;&#216;&#184;&#237;&#133;   &#160;&#242;&#184;&#237;&#133;   > A0 D8 B8 ED 85 02 00 00 A0 F2 B8 ED 85 02 00 00 
{71} normal block at 0x00000285EDB8D6C0, 16 bytes long.
 Data: < &#234;&#246;&#246;&#246;           > 80 EA F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000285EDB8D530, 16 bytes long.
 Data: <@&#233;&#246;&#246;&#246;           > 40 E9 F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000285EDB8E160, 16 bytes long.
 Data: <&#248;W&#243;&#246;&#246;           > F8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000285EDB8E110, 16 bytes long.
 Data: <&#216;W&#243;&#246;&#246;           > D8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000285EDB8DBC0, 16 bytes long.
 Data: <P &#243;&#246;&#246;           > 50 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000285EDB8DC60, 16 bytes long.
 Data: <0 &#243;&#246;&#246;           > 30 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000285EDB8DB70, 16 bytes long.
 Data: <&#224; &#243;&#246;&#246;           > E0 02 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000285EDB8D8F0, 16 bytes long.
 Data: <  &#243;&#246;&#246;           > 10 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000285EDB8E390, 16 bytes long.
 Data: <p &#243;&#246;&#246;           > 70 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000285EDB8DD00, 16 bytes long.
 Data: < &#192;&#241;&#246;&#246;           > 18 C0 F1 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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