Task 38666045

Name test_927-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2306_0
Workunit 31609077
Created 25 Oct 2026, 1:59:53 UTC
Sent 25 Oct 2026, 3:56:57 UTC
Report deadline 30 Oct 2026, 3:56:57 UTC
Received 25 Oct 2026, 7:06:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 3 hours 2 min 12 sec
CPU time 3 hours 1 min 44 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.75 MB
Peak swap size 12.97 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:04:23 (37584): wrapper (7.9.26016): starting
06:04:23 (37584): 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
06:04:24 (37584): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:04:24 (37584): 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\8\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\8\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
09:05:49 (37584): C:/Windows/system32/cmd.exe exited; CPU time 10904.390625
09:05:49 (37584): 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: 236521491 bytes.
Dumping objects ->
{3835275} normal block at 0x000001592B903CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000015929BC4470, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000015929BC4400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x0000015929BC4390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000015929BC4630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000001592B8A8BF0, 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) : {3835187} normal block at 0x0000015929BBE630, 8 bytes long.
 Data: <  &#182;)Y   > 00 00 B6 29 59 01 00 00 
{3833939} normal block at 0x0000015929BBE130, 8 bytes long.
 Data: <@)&#188;)Y   > 40 29 BC 29 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000015929BBF320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015929BB4F90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000015929BC5A90, 16 bytes long.
 Data: < N&#188;)Y           > 08 4E BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015929BC5770, 16 bytes long.
 Data: <&#224;M&#188;)Y           > E0 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015929BC2FD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000015929BC5400, 16 bytes long.
 Data: <&#184;M&#188;)Y           > B8 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015929BC55E0, 16 bytes long.
 Data: < M&#188;)Y           > 90 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015929BC54A0, 16 bytes long.
 Data: <hM&#188;)Y           > 68 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015929BC57C0, 16 bytes long.
 Data: <@M&#188;)Y           > 40 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015929BC4780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000015929BC5C70, 16 bytes long.
 Data: <8&#233;&#186;)Y           > 38 E9 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015929BC3510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000015929BC5720, 16 bytes long.
 Data: < &#233;&#186;)Y           > 10 E9 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015929BC4FA0, 16 bytes long.
 Data: <&#232;&#232;&#186;)Y           > E8 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015929BC53B0, 16 bytes long.
 Data: <&#192;&#232;&#186;)Y           > C0 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015929BC5EA0, 16 bytes long.
 Data: < &#232;&#186;)Y           > 98 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015929BC5860, 16 bytes long.
 Data: <p&#232;&#186;)Y           > 70 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015929BC5DB0, 16 bytes long.
 Data: <H&#232;&#186;)Y           > 48 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015929BC3630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000015929BC5BD0, 16 bytes long.
 Data: < &#232;&#186;)Y           > 20 E8 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015929BAE820, 320 bytes long.
 Data: <&#208;[&#188;)Y   06&#188;)Y   > D0 5B BC 29 59 01 00 00 30 36 BC 29 59 01 00 00 
{265} normal block at 0x0000015929BC52C0, 16 bytes long.
 Data: < M&#188;)Y           > 20 4D BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015929BC5D60, 16 bytes long.
 Data: <&#248;L&#188;)Y           > F8 4C BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015929BC3150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000015929BC56D0, 16 bytes long.
 Data: <&#208;L&#188;)Y           > D0 4C BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015929BC3090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000015929BC5C20, 16 bytes long.
 Data: < L&#188;)Y           > 18 4C BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015929BC5360, 16 bytes long.
 Data: <&#240;K&#188;)Y           > F0 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015929BC4F50, 16 bytes long.
 Data: <&#200;K&#188;)Y           > C8 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015929BC5AE0, 16 bytes long.
 Data: <&#160;K&#188;)Y           > A0 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015929BC5590, 16 bytes long.
 Data: <xK&#188;)Y           > 78 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015929BBE0E0, 16 bytes long.
 Data: <PK&#188;)Y           > 50 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015929BBDC30, 16 bytes long.
 Data: < G&#188;)Y           > 10 47 BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000015929BC4710, 40 bytes long.
 Data: <0&#220;&#187;)Y   &#240;&#139;&#138;+Y   > 30 DC BB 29 59 01 00 00 F0 8B 8A 2B 59 01 00 00 
{251} normal block at 0x0000015929BBE360, 16 bytes long.
 Data: <0K&#188;)Y           > 30 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000015929BBE090, 16 bytes long.
 Data: < K&#188;)Y           > 08 4B BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000015929BC39F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000015929BBE040, 16 bytes long.
 Data: <&#224;J&#188;)Y           > E0 4A BC 29 59 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000015929BC4AE0, 992 bytes long.
 Data: <@&#224;&#187;)Y   &#240;9&#188;)Y   > 40 E0 BB 29 59 01 00 00 F0 39 BC 29 59 01 00 00 
{83} normal block at 0x0000015929BAFAB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000015929BBD820, 16 bytes long.
 Data: <`&#194;&#186;)Y           > 60 C2 BA 29 59 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000015929BAC260, 40 bytes long.
 Data: < &#216;&#187;)Y   &#176;&#250;&#186;)Y   > 20 D8 BB 29 59 01 00 00 B0 FA BA 29 59 01 00 00 
{60} normal block at 0x0000015929BBDE10, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015929BBDC80, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015929BBE680, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015929BBDA00, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015929BBE270, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015929BBE720, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000015929BBE6D0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000015929BBE540, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000015929BBE4F0, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000015929BBDA50, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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