Task 38674591

Name test_778-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9922_0
Workunit 31616622
Created 26 Oct 2026, 5:45:28 UTC
Sent 26 Oct 2026, 5:45:33 UTC
Report deadline 31 Oct 2026, 5:45:33 UTC
Received 26 Oct 2026, 6:44:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 26 sec
CPU time 28 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.71 MB
Peak swap size 9.89 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:15:16 (11404): wrapper (7.9.26016): starting
07:15:16 (11404): 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
07:15:17 (11404): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:15:17 (11404): 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
07:43:56 (11404): C:/Windows/system32/cmd.exe exited; CPU time 1739.687500
07:43:56 (11404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20149867 bytes.
Dumping objects ->
{3835245} normal block at 0x000002B7C3D80AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002B7C3D812C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002B7C3D80FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002B7C3D80A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002B7C3D81250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002B7C3E2B990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002B7C21298A0, 140 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) : {3835156} normal block at 0x000002B7C20C7200, 8 bytes long.
 Data: <   &#194;&#183;   > 00 00 02 C2 B7 02 00 00 
{3834558} normal block at 0x000002B7C2129B10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002B7C20C6BC0, 8 bytes long.
 Data: <&#176;o&#232;&#195;&#183;   > B0 6F E8 C3 B7 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B7C20D1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002B7C20B5DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002B7C20D2930, 16 bytes long.
 Data: < 8 &#194;&#183;           > 98 38 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B7C20D2430, 16 bytes long.
 Data: <p8 &#194;&#183;           > 70 38 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B7C20CD630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002B7C20D2FC0, 16 bytes long.
 Data: <H8 &#194;&#183;           > 48 38 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B7C20D2DE0, 16 bytes long.
 Data: < 8 &#194;&#183;           > 20 38 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B7C20D28E0, 16 bytes long.
 Data: <&#248;7 &#194;&#183;           > F8 37 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B7C20D23E0, 16 bytes long.
 Data: <&#208;7 &#194;&#183;           > D0 37 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B7C20CB7B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002B7C20D2C00, 16 bytes long.
 Data: <H] &#194;&#183;           > 48 5D 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B7C20CC910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002B7C20D2890, 16 bytes long.
 Data: < ] &#194;&#183;           > 20 5D 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B7C20D2520, 16 bytes long.
 Data: <&#248;\ &#194;&#183;           > F8 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B7C20D2840, 16 bytes long.
 Data: <&#208;\ &#194;&#183;           > D0 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B7C20D2ED0, 16 bytes long.
 Data: <&#168;\ &#194;&#183;           > A8 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B7C20D2B60, 16 bytes long.
 Data: < \ &#194;&#183;           > 80 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B7C20D2480, 16 bytes long.
 Data: <X\ &#194;&#183;           > 58 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B7C20CCC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002B7C20D27F0, 16 bytes long.
 Data: <0\ &#194;&#183;           > 30 5C 0B C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B7C20B5C30, 320 bytes long.
 Data: <&#240;' &#194;&#183;    &#204; &#194;&#183;   > F0 27 0D C2 B7 02 00 00 10 CC 0C C2 B7 02 00 00 
{279} normal block at 0x000002B7C20D2570, 16 bytes long.
 Data: <&#176;7 &#194;&#183;           > B0 37 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B7C20D3100, 16 bytes long.
 Data: < 7 &#194;&#183;           > 88 37 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B7C20CD450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002B7C20D2390, 16 bytes long.
 Data: <`7 &#194;&#183;           > 60 37 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B7C20CCE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002B7C20D2CA0, 16 bytes long.
 Data: <&#168;6 &#194;&#183;           > A8 36 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B7C20D2750, 16 bytes long.
 Data: < 6 &#194;&#183;           > 80 36 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B7C20D25C0, 16 bytes long.
 Data: <X6 &#194;&#183;           > 58 36 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B7C20D26B0, 16 bytes long.
 Data: <06 &#194;&#183;           > 30 36 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B7C20D2660, 16 bytes long.
 Data: < 6 &#194;&#183;           > 08 36 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B7C20D2D90, 16 bytes long.
 Data: <&#224;5 &#194;&#183;           > E0 35 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B7C20D2AC0, 16 bytes long.
 Data: <p&#185; &#194;&#183;           > 70 B9 0C C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B7C20CB970, 40 bytes long.
 Data: <&#192;* &#194;&#183;    &#185;&#226;&#195;&#183;   > C0 2A 0D C2 B7 02 00 00 90 B9 E2 C3 B7 02 00 00 
{265} normal block at 0x000002B7C20D27A0, 16 bytes long.
 Data: <&#192;5 &#194;&#183;           > C0 35 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B7C20D3060, 16 bytes long.
 Data: < 5 &#194;&#183;           > 98 35 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B7C20CCDF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002B7C20D3010, 16 bytes long.
 Data: <p5 &#194;&#183;           > 70 35 0D C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B7C20D3570, 992 bytes long.
 Data: < 0 &#194;&#183;   &#240;&#205; &#194;&#183;   > 10 30 0D C2 B7 02 00 00 F0 CD 0C C2 B7 02 00 00 
{97} normal block at 0x000002B7C20CD7B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002B7C20C71B0, 16 bytes long.
 Data: <@&#183; &#194;&#183;           > 40 B7 0C C2 B7 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002B7C20CB740, 40 bytes long.
 Data: <&#176;q &#194;&#183;   &#176;&#215; &#194;&#183;   > B0 71 0C C2 B7 02 00 00 B0 D7 0C C2 B7 02 00 00 
{74} normal block at 0x000002B7C20C7110, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002B7C20C6580, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B7C20C6F80, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B7C20C73E0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B7C20C7160, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B7C20C6E90, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B7C20C7430, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B7C20C6940, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B7C20C6E40, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B7C20C70C0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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