Task 38656595

Name test_221-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0185_1
Workunit 31600121
Created 24 Oct 2026, 10:47:46 UTC
Sent 24 Oct 2026, 10:50:09 UTC
Report deadline 29 Oct 2026, 10:50:09 UTC
Received 24 Oct 2026, 11:55:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640711
Run time 56 min 45 sec
CPU time 56 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.96 MB
Peak swap size 6.70 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:52:11 (14876): wrapper (7.9.26016): starting
06:52:11 (14876): 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
06:52:13 (14876): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:52:13 (14876): 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\15\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\15\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
07:54:51 (14876): C:/Windows/system32/cmd.exe exited; CPU time 3405.218750
07:54:51 (14876): 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: 37471997 bytes.
Dumping objects ->
{3835305} normal block at 0x0000020703D2DA10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835294} normal block at 0x0000020703D2D9A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000020703D2DBD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835272} normal block at 0x0000020702085090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000020702085020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835230} normal block at 0x0000020703D7AD30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000020703D8F0E0, 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) : {3835216} normal block at 0x000002070207E300, 8 bytes long.
 Data: <  L     > 00 00 4C 02 07 02 00 00 
{3834584} normal block at 0x0000020703D8F240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833973} normal block at 0x000002070207E2B0, 8 bytes long.
 Data: <&#240;&#230;&#216;     > F0 E6 D8 03 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000020702082250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000207020764C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000207020861C0, 16 bytes long.
 Data: <&#200;m              > C8 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020702085B80, 16 bytes long.
 Data: <&#160;m              > A0 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002070207FF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000020702085EA0, 16 bytes long.
 Data: <xm              > 78 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020702085E50, 16 bytes long.
 Data: <Pm              > 50 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020702085D60, 16 bytes long.
 Data: <(m              > 28 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020702086170, 16 bytes long.
 Data: < m              > 00 6D 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020702085170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000207020868F0, 16 bytes long.
 Data: <&#168;&#241;              > A8 F1 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002070207F5C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000020702085DB0, 16 bytes long.
 Data: < &#241;              > 80 F1 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020702085C20, 16 bytes long.
 Data: <X&#241;              > 58 F1 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020702086120, 16 bytes long.
 Data: <0&#241;              > 30 F1 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207020860D0, 16 bytes long.
 Data: < &#241;              > 08 F1 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020702086710, 16 bytes long.
 Data: <&#224;&#240;              > E0 F0 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020702086350, 16 bytes long.
 Data: <&#184;&#240;              > B8 F0 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020702080100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000020702086530, 16 bytes long.
 Data: < &#240;              > 90 F0 07 02 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002070207F090, 320 bytes long.
 Data: <0e              > 30 65 08 02 07 02 00 00 00 01 08 02 07 02 00 00 
{282} normal block at 0x00000207020864E0, 16 bytes long.
 Data: <&#224;l              > E0 6C 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020702085B30, 16 bytes long.
 Data: <&#184;l              > B8 6C 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002070207F7A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000020702086030, 16 bytes long.
 Data: < l              > 90 6C 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002070207F500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000020702086080, 16 bytes long.
 Data: <&#216;k              > D8 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207020868A0, 16 bytes long.
 Data: <&#176;k              > B0 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020702085F40, 16 bytes long.
 Data: < k              > 88 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020702085FE0, 16 bytes long.
 Data: <`k              > 60 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020702085AE0, 16 bytes long.
 Data: <8k              > 38 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020702086990, 16 bytes long.
 Data: < k              > 10 6B 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020702086850, 16 bytes long.
 Data: <`U              > 60 55 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020702085560, 40 bytes long.
 Data: <Ph      0&#173;&#215;     > 50 68 08 02 07 02 00 00 30 AD D7 03 07 02 00 00 
{268} normal block at 0x0000020702086620, 16 bytes long.
 Data: <&#240;j              > F0 6A 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020702086490, 16 bytes long.
 Data: <&#200;j              > C8 6A 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002070207FD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000020702086A30, 16 bytes long.
 Data: <&#160;j              > A0 6A 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020702086AA0, 992 bytes long.
 Data: <0j      @&#253;      > 30 6A 08 02 07 02 00 00 40 FD 07 02 07 02 00 00 
{100} normal block at 0x000002070207FDA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000002070207DA90, 16 bytes long.
 Data: <0S              > 30 53 08 02 07 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000020702085330, 40 bytes long.
 Data: < &#218;      &#160;&#253;      > 90 DA 07 02 07 02 00 00 A0 FD 07 02 07 02 00 00 
{77} normal block at 0x000002070207E5D0, 16 bytes long.
 Data: < &#234;&#239;&#145;&#247;           > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002070207E260, 16 bytes long.
 Data: <@&#233;&#239;&#145;&#247;           > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002070207E0D0, 16 bytes long.
 Data: <&#248;W&#236;&#145;&#247;           > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002070207E6C0, 16 bytes long.
 Data: <&#216;W&#236;&#145;&#247;           > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002070207DCC0, 16 bytes long.
 Data: <P &#236;&#145;&#247;           > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002070207DE00, 16 bytes long.
 Data: <0 &#236;&#145;&#247;           > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002070207E210, 16 bytes long.
 Data: <&#224; &#236;&#145;&#247;           > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002070207DEA0, 16 bytes long.
 Data: <  &#236;&#145;&#247;           > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002070207E1C0, 16 bytes long.
 Data: <p &#236;&#145;&#247;           > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002070207D9A0, 16 bytes long.
 Data: < &#192;&#234;&#145;&#247;           > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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