Task 38676049

Name test_596-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2903_0
Workunit 31617985
Created 26 Oct 2026, 10:06:25 UTC
Sent 26 Oct 2026, 10:06:29 UTC
Report deadline 31 Oct 2026, 10:06:29 UTC
Received 26 Oct 2026, 11:09:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 44 sec
CPU time 14 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.72 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:53:44 (51244): wrapper (7.9.26016): starting
11:53:44 (51244): 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
11:53:45 (51244): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:53:45 (51244): 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: Exiting with failure status due to previous errors
12:08:53 (51244): C:/Windows/system32/cmd.exe exited; CPU time 891.328125
12:08:53 (51244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 22958686 bytes.
Dumping objects ->
{3835546} normal block at 0x00000215AE6667E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x00000215AE666700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x00000215AE666690, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x00000215AE6668C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000215AE666620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x00000215B0485C50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000215B049EB70, 85 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) : {3835457} normal block at 0x00000215AE660260, 8 bytes long.
 Data: <  &#187;&#174;    > 00 00 BB AE 15 02 00 00 
{3834685} normal block at 0x00000215B049E7B0, 85 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 0x00000215AE660580, 8 bytes long.
 Data: <&#176;hQ&#176;    > B0 68 51 B0 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000215AE662EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000215AE657DE0, 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 0x00000215AE667140, 16 bytes long.
 Data: <&#216;~f&#174;            > D8 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000215AE667000, 16 bytes long.
 Data: <&#176;~f&#174;            > B0 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000215AE661D00, 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 0x00000215AE6677D0, 16 bytes long.
 Data: < ~f&#174;            > 88 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000215AE666BF0, 16 bytes long.
 Data: <`~f&#174;            > 60 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000215AE6670A0, 16 bytes long.
 Data: <8~f&#174;            > 38 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000215AE667410, 16 bytes long.
 Data: < ~f&#174;            > 10 7E 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000215AE6664D0, 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 0x00000215AE667B40, 16 bytes long.
 Data: <h e&#174;            > 68 06 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000215AE661CA0, 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 0x00000215AE667AF0, 16 bytes long.
 Data: <@ e&#174;            > 40 06 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000215AE6675A0, 16 bytes long.
 Data: <  e&#174;            > 18 06 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215AE6675F0, 16 bytes long.
 Data: <&#240; e&#174;            > F0 05 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000215AE666DD0, 16 bytes long.
 Data: <&#200; e&#174;            > C8 05 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000215AE667AA0, 16 bytes long.
 Data: <&#160; e&#174;            > A0 05 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000215AE666EC0, 16 bytes long.
 Data: <x e&#174;            > 78 05 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000215AE6618E0, 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 0x00000215AE6671E0, 16 bytes long.
 Data: <P e&#174;            > 50 05 65 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000215AE650550, 320 bytes long.
 Data: <&#224;qf&#174;    &#224; f&#174;    > E0 71 66 AE 15 02 00 00 E0 18 66 AE 15 02 00 00 
{276} normal block at 0x00000215AE6673C0, 16 bytes long.
 Data: <&#240;}f&#174;            > F0 7D 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000215AE6672D0, 16 bytes long.
 Data: <&#200;}f&#174;            > C8 7D 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000215AE661EE0, 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 0x00000215AE667550, 16 bytes long.
 Data: <&#160;}f&#174;            > A0 7D 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215AE6617C0, 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 0x00000215AE667690, 16 bytes long.
 Data: <&#232;|f&#174;            > E8 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000215AE667320, 16 bytes long.
 Data: <&#192;|f&#174;            > C0 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215AE667820, 16 bytes long.
 Data: < |f&#174;            > 98 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215AE666D30, 16 bytes long.
 Data: <p|f&#174;            > 70 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000215AE667500, 16 bytes long.
 Data: <H|f&#174;            > 48 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215AE667A00, 16 bytes long.
 Data: < |f&#174;            > 20 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000215AE667460, 16 bytes long.
 Data: <&#240;cf&#174;            > F0 63 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215AE6663F0, 40 bytes long.
 Data: <`tf&#174;    P\H&#176;    > 60 74 66 AE 15 02 00 00 50 5C 48 B0 15 02 00 00 
{262} normal block at 0x00000215AE666FB0, 16 bytes long.
 Data: < |f&#174;            > 00 7C 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000215AE6676E0, 16 bytes long.
 Data: <&#216;{f&#174;            > D8 7B 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000215AE661400, 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 0x00000215AE667370, 16 bytes long.
 Data: <&#176;{f&#174;            > B0 7B 66 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000215AE667BB0, 992 bytes long.
 Data: <psf&#174;      f&#174;    > 70 73 66 AE 15 02 00 00 00 14 66 AE 15 02 00 00 
{94} normal block at 0x00000215AE661DC0, 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 0x00000215AE6606C0, 16 bytes long.
 Data: <&#240;&#192;d&#174;            > F0 C0 64 AE 15 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000215AE64C0F0, 40 bytes long.
 Data: <&#192; f&#174;    &#192; f&#174;    > C0 06 66 AE 15 02 00 00 C0 1D 66 AE 15 02 00 00 
{71} normal block at 0x00000215AE661070, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000215AE660CB0, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000215AE6602B0, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000215AE661160, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000215AE6610C0, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000215AE660FD0, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000215AE660800, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000215AE660300, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000215AE660620, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000215AE660210, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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