Task 38684485

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1884_0
Workunit 31625998
Created 27 Oct 2026, 16:36:41 UTC
Sent 27 Oct 2026, 16:36:49 UTC
Report deadline 1 Nov 2026, 16:36:49 UTC
Received 27 Oct 2026, 17:34:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 27 min 59 sec
CPU time 24 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.39 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:06:32 (32012): wrapper (7.9.26016): starting
13:06:32 (32012): 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
13:06:34 (32012): Library/usr/bin/tar.exe exited; CPU time 0.062500
13:06:34 (32012): 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\12\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\12\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
13:33:00 (32012): C:/Windows/system32/cmd.exe exited; CPU time 1494.093750
13:33:00 (32012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 30835461 bytes.
Dumping objects ->
{3835236} normal block at 0x000001BD77206370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001BD77206450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001BD772063E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000001BD772068B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001BD772067D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000001BD790DC930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001BD790EFB40, 103 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) : {3835147} normal block at 0x000001BD77200380, 8 bytes long.
 Data: <  sw&#189;   > 00 00 73 77 BD 01 00 00 
{3834543} normal block at 0x000001BD790F04E0, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001BD77200880, 8 bytes long.
 Data: <p&#245; y&#189;   > 70 F5 0E 79 BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001BD77202580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BD771F7AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001BD77207420, 16 bytes long.
 Data: <&#248;} w&#189;           > F8 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BD77207880, 16 bytes long.
 Data: <&#208;} w&#189;           > D0 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BD772016B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001BD77207A10, 16 bytes long.
 Data: <&#168;} w&#189;           > A8 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BD77207380, 16 bytes long.
 Data: < } w&#189;           > 80 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BD772077E0, 16 bytes long.
 Data: <X} w&#189;           > 58 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD77207650, 16 bytes long.
 Data: <0} w&#189;           > 30 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD77206530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001BD77207920, 16 bytes long.
 Data: <&#168;&#255; w&#189;           > A8 FF 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BD77201C50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001BD77207600, 16 bytes long.
 Data: < &#255; w&#189;           > 80 FF 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BD77207970, 16 bytes long.
 Data: <X&#255; w&#189;           > 58 FF 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD77207830, 16 bytes long.
 Data: <0&#255; w&#189;           > 30 FF 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD77206FC0, 16 bytes long.
 Data: < &#255; w&#189;           > 08 FF 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD77206B10, 16 bytes long.
 Data: <&#224;&#254; w&#189;           > E0 FE 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD77206F70, 16 bytes long.
 Data: <&#184;&#254; w&#189;           > B8 FE 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BD77202130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001BD772079C0, 16 bytes long.
 Data: < &#254; w&#189;           > 90 FE 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BD771FFE90, 320 bytes long.
 Data: <&#192;y w&#189;   0! w&#189;   > C0 79 20 77 BD 01 00 00 30 21 20 77 BD 01 00 00 
{275} normal block at 0x000001BD77206F20, 16 bytes long.
 Data: < } w&#189;           > 10 7D 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BD77207150, 16 bytes long.
 Data: <&#232;| w&#189;           > E8 7C 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BD77201650, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001BD772071A0, 16 bytes long.
 Data: <&#192;| w&#189;           > C0 7C 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BD77201DD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001BD77206ED0, 16 bytes long.
 Data: < | w&#189;           > 08 7C 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BD77206E80, 16 bytes long.
 Data: <&#224;{ w&#189;           > E0 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD772073D0, 16 bytes long.
 Data: <&#184;{ w&#189;           > B8 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD77206E30, 16 bytes long.
 Data: < { w&#189;           > 90 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD77206D40, 16 bytes long.
 Data: <h{ w&#189;           > 68 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD77207790, 16 bytes long.
 Data: <@{ w&#189;           > 40 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BD77207510, 16 bytes long.
 Data: < i w&#189;           > 90 69 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BD77206990, 40 bytes long.
 Data: < u w&#189;   0&#201; y&#189;   > 10 75 20 77 BD 01 00 00 30 C9 0D 79 BD 01 00 00 
{261} normal block at 0x000001BD77206CF0, 16 bytes long.
 Data: < { w&#189;           > 20 7B 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BD772075B0, 16 bytes long.
 Data: <&#248;z w&#189;           > F8 7A 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BD77201830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001BD77207240, 16 bytes long.
 Data: <&#208;z w&#189;           > D0 7A 20 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BD77207AD0, 992 bytes long.
 Data: <@r w&#189;   0  w&#189;   > 40 72 20 77 BD 01 00 00 30 18 20 77 BD 01 00 00 
{93} normal block at 0x000001BD77201EF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001BD772006F0, 16 bytes long.
 Data: <   w&#189;           > 80 00 1F 77 BD 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001BD771F0080, 40 bytes long.
 Data: <&#240;  w&#189;   &#240;  w&#189;   > F0 06 20 77 BD 01 00 00 F0 1E 20 77 BD 01 00 00 
{70} normal block at 0x000001BD77201140, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BD77200A10, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD77200920, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD772006A0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BD77200E70, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BD77200B50, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BD772010F0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BD77200B00, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BD77201000, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BD77200970, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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