Task 38689326

Name test_620-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1373_0
Workunit 31630592
Created 28 Oct 2026, 20:13:16 UTC
Sent 28 Oct 2026, 20:13:20 UTC
Report deadline 2 Nov 2026, 20:13:20 UTC
Received 28 Oct 2026, 21:09:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613730
Run time 27 min 14 sec
CPU time 25 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.19 MB
Peak swap size 10.03 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:42:07 (37832): wrapper (7.9.26016): starting
21:42:07 (37832): 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
21:42:08 (37832): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:42:08 (37832): 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
22:08:15 (37832): C:/Windows/system32/cmd.exe exited; CPU time 1538.875000
22:08:15 (37832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 32699873 bytes.
Dumping objects ->
{3835716} normal block at 0x0000020D9901B740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835705} normal block at 0x0000020D9901BBA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835694} normal block at 0x0000020D9901BC80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835683} normal block at 0x0000020D9901B6D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835672} normal block at 0x0000020D9901B970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835641} normal block at 0x0000020D9AD07BD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835628} normal block at 0x0000020D98FEFD10, 8 bytes long.
 Data: <  &#250;     > 00 00 FA 98 0D 02 00 00 
{3833972} normal block at 0x0000020D98FF0300, 8 bytes long.
 Data: <0v      > 30 76 FF 98 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020D98FE37C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020D98FE6250, 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 0x0000020D98FF85B0, 16 bytes long.
 Data: <&#232;&#142;              > E8 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020D98FF8470, 16 bytes long.
 Data: <&#192;&#142;              > C0 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020D98FF1B60, 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 0x0000020D98FF82E0, 16 bytes long.
 Data: < &#142;              > 98 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D98FF80B0, 16 bytes long.
 Data: <p&#142;              > 70 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D98FF7CA0, 16 bytes long.
 Data: <H&#142;              > 48 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D98FF7CF0, 16 bytes long.
 Data: < &#142;              > 20 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D98FF3970, 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 0x0000020D98FF7F70, 16 bytes long.
 Data: <X&#227;&#253;             > 58 E3 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D98FF21C0, 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 0x0000020D98FF7F20, 16 bytes long.
 Data: <0&#227;&#253;             > 30 E3 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D98FF8100, 16 bytes long.
 Data: < &#227;&#253;             > 08 E3 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D98FF8AB0, 16 bytes long.
 Data: <&#224;&#226;&#253;             > E0 E2 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D98FF81A0, 16 bytes long.
 Data: <&#184;&#226;&#253;             > B8 E2 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D98FF81F0, 16 bytes long.
 Data: < &#226;&#253;             > 90 E2 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D98FF8970, 16 bytes long.
 Data: <h&#226;&#253;             > 68 E2 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D98FF1CE0, 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 0x0000020D98FF8150, 16 bytes long.
 Data: <@&#226;&#253;             > 40 E2 FD 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D98FDE240, 320 bytes long.
 Data: <P       &#224;       > 50 81 FF 98 0D 02 00 00 E0 1C FF 98 0D 02 00 00 
{279} normal block at 0x0000020D98FF7FC0, 16 bytes long.
 Data: < &#142;              > 00 8E FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D98FF7D90, 16 bytes long.
 Data: <&#216;&#141;              > D8 8D FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D98FF2640, 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 0x0000020D98FF8240, 16 bytes long.
 Data: <&#176;&#141;              > B0 8D FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D98FF1E00, 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 0x0000020D98FF7E80, 16 bytes long.
 Data: <&#248;&#140;              > F8 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D98FF8290, 16 bytes long.
 Data: <&#208;&#140;              > D0 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D98FF7ED0, 16 bytes long.
 Data: <&#168;&#140;              > A8 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D98FF8420, 16 bytes long.
 Data: < &#140;              > 80 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D98FF8560, 16 bytes long.
 Data: <X&#140;              > 58 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020D98FF8380, 16 bytes long.
 Data: <0&#140;              > 30 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D98FF89C0, 16 bytes long.
 Data: < <              > 80 3C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D98FF3C80, 40 bytes long.
 Data: <&#192;&#137;      &#208;{&#208;&#154;    > C0 89 FF 98 0D 02 00 00 D0 7B D0 9A 0D 02 00 00 
{265} normal block at 0x0000020D98FF7C00, 16 bytes long.
 Data: < &#140;              > 10 8C FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020D98FF83D0, 16 bytes long.
 Data: <&#232;&#139;              > E8 8B FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D98FF1A40, 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 0x0000020D98FF8A60, 16 bytes long.
 Data: <&#192;&#139;              > C0 8B FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020D98FF8BC0, 992 bytes long.
 Data: <`&#138;      @       > 60 8A FF 98 0D 02 00 00 40 1A FF 98 0D 02 00 00 
{97} normal block at 0x0000020D98FF1F80, 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 0x0000020D98FF0440, 16 bytes long.
 Data: <`6              > 60 36 FF 98 0D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000020D98FF3660, 40 bytes long.
 Data: <@               > 40 04 FF 98 0D 02 00 00 80 1F FF 98 0D 02 00 00 
{74} normal block at 0x0000020D98FEFC70, 16 bytes long.
 Data: < &#234;2 &#247;           > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020D98FEFE50, 16 bytes long.
 Data: <@&#233;2 &#247;           > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020D98FEFE00, 16 bytes long.
 Data: <&#248;W/ &#247;           > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020D98FEF950, 16 bytes long.
 Data: <&#216;W/ &#247;           > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020D98FF0760, 16 bytes long.
 Data: <P / &#247;           > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020D98FEFB80, 16 bytes long.
 Data: <0 / &#247;           > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D98FF0080, 16 bytes long.
 Data: <&#224; / &#247;           > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D98FF02B0, 16 bytes long.
 Data: <  / &#247;           > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D98FEFCC0, 16 bytes long.
 Data: <p / &#247;           > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020D98FF03F0, 16 bytes long.
 Data: < &#192;- &#247;           > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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