Task 38685355

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4973_0
Workunit 31626825
Created 27 Oct 2026, 20:40:08 UTC
Sent 27 Oct 2026, 20:40:14 UTC
Report deadline 1 Nov 2026, 20:40:14 UTC
Received 28 Oct 2026, 0:36:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 58 min 34 sec
CPU time 51 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.04 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:40:04 (22332): wrapper (7.9.26016): starting
16:40:04 (22332): 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
16:40:07 (22332): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:40:07 (22332): 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
17:35:58 (22332): C:/Windows/system32/cmd.exe exited; CPU time 3080.375000
17:35:58 (22332): 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: 65022699 bytes.
Dumping objects ->
{3835458} normal block at 0x0000016C1E0AE7F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000016C1E0AE710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000016C1E0AE6A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000016C1C4F6200, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000016C1C4F6190, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000016C1E19B250, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000016C1E1B0390, 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) : {3835369} normal block at 0x0000016C1C4EEF80, 8 bytes long.
 Data: <  J l   > 00 00 4A 1C 6C 01 00 00 
{3834654} normal block at 0x0000016C1E1B0440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000016C1C4EE9E0, 8 bytes long.
 Data: <&#208;YO l   > D0 59 4F 1C 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000016C1C4F29B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016C1C4E0520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000016C1C4F79E0, 16 bytes long.
 Data: <&#200;}O l           > C8 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016C1C4F6D60, 16 bytes long.
 Data: <&#160;}O l           > A0 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016C1C4F0CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000016C1C4F6B30, 16 bytes long.
 Data: <x}O l           > 78 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016C1C4F7850, 16 bytes long.
 Data: <P}O l           > 50 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016C1C4F73A0, 16 bytes long.
 Data: <(}O l           > 28 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016C1C4F7940, 16 bytes long.
 Data: < }O l           > 00 7D 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016C1C4F65F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000016C1C4F75D0, 16 bytes long.
 Data: <x N l           > 78 08 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016C1C4F0E80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000016C1C4F78F0, 16 bytes long.
 Data: <P N l           > 50 08 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016C1C4F6BD0, 16 bytes long.
 Data: <( N l           > 28 08 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016C1C4F78A0, 16 bytes long.
 Data: <  N l           > 00 08 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016C1C4F77B0, 16 bytes long.
 Data: <&#216; N l           > D8 07 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016C1C4F6F40, 16 bytes long.
 Data: <&#176; N l           > B0 07 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016C1C4F7760, 16 bytes long.
 Data: <  N l           > 88 07 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016C1C4F05E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000016C1C4F7800, 16 bytes long.
 Data: <` N l           > 60 07 4E 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016C1C4E0760, 320 bytes long.
 Data: < xO l   &#224; O l   > 00 78 4F 1C 6C 01 00 00 E0 05 4F 1C 6C 01 00 00 
{278} normal block at 0x0000016C1C4F7030, 16 bytes long.
 Data: <&#224;|O l           > E0 7C 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016C1C4F7990, 16 bytes long.
 Data: <&#184;|O l           > B8 7C 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016C1C4F0700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000016C1C4F7620, 16 bytes long.
 Data: < |O l           > 90 7C 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016C1C4F10C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000016C1C4F6C70, 16 bytes long.
 Data: <&#216;{O l           > D8 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016C1C4F76C0, 16 bytes long.
 Data: <&#176;{O l           > B0 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016C1C4F6E50, 16 bytes long.
 Data: < {O l           > 88 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016C1C4F6EF0, 16 bytes long.
 Data: <`{O l           > 60 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016C1C4F7580, 16 bytes long.
 Data: <8{O l           > 38 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016C1C4F70D0, 16 bytes long.
 Data: < {O l           > 10 7B 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016C1C4F7350, 16 bytes long.
 Data: < eO l           > 80 65 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016C1C4F6580, 40 bytes long.
 Data: <PsO l   P&#178;  l   > 50 73 4F 1C 6C 01 00 00 50 B2 19 1E 6C 01 00 00 
{264} normal block at 0x0000016C1C4F73F0, 16 bytes long.
 Data: <&#240;zO l           > F0 7A 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016C1C4F7080, 16 bytes long.
 Data: <&#200;zO l           > C8 7A 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016C1C4F0A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000016C1C4F7260, 16 bytes long.
 Data: <&#160;zO l           > A0 7A 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016C1C4F7AA0, 992 bytes long.
 Data: <`rO l     O l   > 60 72 4F 1C 6C 01 00 00 00 0A 4F 1C 6C 01 00 00 
{96} normal block at 0x0000016C1C4F11E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000016C1C4EE760, 16 bytes long.
 Data: <0dO l           > 30 64 4F 1C 6C 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000016C1C4F6430, 40 bytes long.
 Data: <`&#231;N l   &#224; O l   > 60 E7 4E 1C 6C 01 00 00 E0 11 4F 1C 6C 01 00 00 
{73} normal block at 0x0000016C1C4EF200, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016C1C4EF0C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016C1C4EE990, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016C1C4EEE90, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016C1C4EF070, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016C1C4EF570, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016C1C4EF520, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016C1C4EEBC0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016C1C4EF4D0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016C1C4EEDF0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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