Task 38685663

Name test_139-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1305_0
Workunit 31627124
Created 27 Oct 2026, 22:18:14 UTC
Sent 27 Oct 2026, 22:18:22 UTC
Report deadline 1 Nov 2026, 22:18:22 UTC
Received 27 Oct 2026, 22:39:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 19 min 35 sec
CPU time 17 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.61 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:12 (4016): wrapper (7.9.26016): starting
23:19:12 (4016): 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
23:19:13 (4016): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:19:13 (4016): 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\0\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\0\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
23:38:13 (4016): C:/Windows/system32/cmd.exe exited; CPU time 1070.875000
23:38:13 (4016): 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: 15232141 bytes.
Dumping objects ->
{3835237} normal block at 0x0000020705FECCD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000020705FED590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000020705FECB10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000020705FECF00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000020705FED130, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000020707C5F600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000020707C72AB0, 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) : {3835148} normal block at 0x0000020705FBF460, 8 bytes long.
 Data: <  &#248;     > 00 00 F8 05 07 02 00 00 
{3834544} normal block at 0x0000020707C72C10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000020705FBF640, 8 bytes long.
 Data: <0o&#203;     > 30 6F CB 07 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020705FBC970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020705FB6220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000020705FC9DC0, 16 bytes long.
 Data: <&#168;&#166;&#252;             > A8 A6 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020705FC97D0, 16 bytes long.
 Data: < &#166;&#252;             > 80 A6 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020705FC3370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000020705FC93C0, 16 bytes long.
 Data: <X&#166;&#252;             > 58 A6 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020705FC9D20, 16 bytes long.
 Data: <0&#166;&#252;             > 30 A6 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020705FCA310, 16 bytes long.
 Data: < &#166;&#252;             > 08 A6 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020705FC9B40, 16 bytes long.
 Data: <&#224;&#165;&#252;             > E0 A5 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020705FC4DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000020705FC9C30, 16 bytes long.
 Data: <&#232;F&#251;             > E8 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020705FC3730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000020705FC95F0, 16 bytes long.
 Data: <&#192;F&#251;             > C0 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020705FC9730, 16 bytes long.
 Data: < F&#251;             > 98 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020705FCA180, 16 bytes long.
 Data: <pF&#251;             > 70 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020705FCA090, 16 bytes long.
 Data: <HF&#251;             > 48 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020705FC9FF0, 16 bytes long.
 Data: < F&#251;             > 20 46 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020705FC9B90, 16 bytes long.
 Data: <&#248;E&#251;             > F8 45 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020705FC3DF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000020705FC9500, 16 bytes long.
 Data: <&#208;E&#251;             > D0 45 FB 05 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020705FB45D0, 320 bytes long.
 Data: < &#149;&#252;     &#240;=&#252;     > 00 95 FC 05 07 02 00 00 F0 3D FC 05 07 02 00 00 
{277} normal block at 0x0000020705FCA2C0, 16 bytes long.
 Data: <&#192;&#165;&#252;             > C0 A5 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020705FC9AF0, 16 bytes long.
 Data: < &#165;&#252;             > 98 A5 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020705FC3130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000020705FC9C80, 16 bytes long.
 Data: <p&#165;&#252;             > 70 A5 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020705FC3A90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000020705FCA130, 16 bytes long.
 Data: <&#184;&#164;&#252;             > B8 A4 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020705FC96E0, 16 bytes long.
 Data: < &#164;&#252;             > 90 A4 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020705FC9FA0, 16 bytes long.
 Data: <h&#164;&#252;             > 68 A4 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020705FCA040, 16 bytes long.
 Data: <@&#164;&#252;             > 40 A4 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020705FC9F50, 16 bytes long.
 Data: < &#164;&#252;             > 18 A4 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020705FC9460, 16 bytes long.
 Data: <&#240;&#163;&#252;             > F0 A3 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020705FC9690, 16 bytes long.
 Data: < K&#252;             > 20 4B FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020705FC4B20, 40 bytes long.
 Data: < &#150;&#252;      &#246;&#197;     > 90 96 FC 05 07 02 00 00 00 F6 C5 07 07 02 00 00 
{263} normal block at 0x0000020705FC9F00, 16 bytes long.
 Data: <&#208;&#163;&#252;             > D0 A3 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020705FC9EB0, 16 bytes long.
 Data: <&#168;&#163;&#252;             > A8 A3 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020705FC3070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000020705FC9640, 16 bytes long.
 Data: < &#163;&#252;             > 80 A3 FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020705FCA380, 992 bytes long.
 Data: <@&#150;&#252;     p0&#252;     > 40 96 FC 05 07 02 00 00 70 30 FC 05 07 02 00 00 
{95} normal block at 0x0000020705FC3CD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000020705FBF7D0, 16 bytes long.
 Data: <&#240;O&#252;             > F0 4F FC 05 07 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020705FC4FF0, 40 bytes long.
 Data: <&#208;&#247;&#251;     &#208;<&#252;     > D0 F7 FB 05 07 02 00 00 D0 3C FC 05 07 02 00 00 
{72} normal block at 0x0000020705FBFFA0, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020705FBF4B0, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020705FBFF00, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020705FBF0A0, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020705FBF320, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020705FBF5A0, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020705FBF280, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020705FBF6E0, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020705FBF050, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020705FBFBE0, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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