Task 38684918

Name test_402-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND7507_0
Workunit 31626417
Created 27 Oct 2026, 18:34:07 UTC
Sent 27 Oct 2026, 18:34:10 UTC
Report deadline 1 Nov 2026, 18:34:10 UTC
Received 27 Oct 2026, 20:52:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 45 min 24 sec
CPU time 41 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.45 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:08:03 (2272): wrapper (7.9.26016): starting
14:08:03 (2272): 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
14:08:05 (2272): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:08:05 (2272): 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\19\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\19\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
14:51:59 (2272): C:/Windows/system32/cmd.exe exited; CPU time 2507.093750
14:51:59 (2272): 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: 62077275 bytes.
Dumping objects ->
{3835483} normal block at 0x00000166E425CE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000166E4235BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x00000166E4235A90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x00000166E4235A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x00000166E4235D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x00000166E5ECD2E0, 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) : {3835395} normal block at 0x00000166E4231A90, 8 bytes long.
 Data: <   &#228;f   > 00 00 1D E4 66 01 00 00 
{3833957} normal block at 0x00000166E4231D10, 8 bytes long.
 Data: <&#240;Q#&#228;f   > F0 51 23 E4 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000166E4227550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000166E4227F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000166E4236480, 16 bytes long.
 Data: <Xs#&#228;f           > 58 73 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000166E4236160, 16 bytes long.
 Data: <0s#&#228;f           > 30 73 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000166E4231750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000166E4236F70, 16 bytes long.
 Data: < s#&#228;f           > 08 73 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000166E4236930, 16 bytes long.
 Data: <&#224;r#&#228;f           > E0 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000166E4236610, 16 bytes long.
 Data: <&#184;r#&#228;f           > B8 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000166E4236B10, 16 bytes long.
 Data: < r#&#228;f           > 90 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000166E4235E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000166E4236CF0, 16 bytes long.
 Data: < &#185;!&#228;f           > 08 B9 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000166E4231690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000166E4236BB0, 16 bytes long.
 Data: <&#224;&#184;!&#228;f           > E0 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000166E42368E0, 16 bytes long.
 Data: <&#184;&#184;!&#228;f           > B8 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000166E4236E30, 16 bytes long.
 Data: < &#184;!&#228;f           > 90 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000166E4236A20, 16 bytes long.
 Data: <h&#184;!&#228;f           > 68 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000166E4236430, 16 bytes long.
 Data: <@&#184;!&#228;f           > 40 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000166E4236B60, 16 bytes long.
 Data: < &#184;!&#228;f           > 18 B8 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000166E4230850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000166E4236DE0, 16 bytes long.
 Data: <&#240;&#183;!&#228;f           > F0 B7 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000166E421B7F0, 320 bytes long.
 Data: <&#224;m#&#228;f   P #&#228;f   > E0 6D 23 E4 66 01 00 00 50 08 23 E4 66 01 00 00 
{274} normal block at 0x00000166E42367A0, 16 bytes long.
 Data: <pr#&#228;f           > 70 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000166E4236200, 16 bytes long.
 Data: <Hr#&#228;f           > 48 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000166E4230DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000166E4236D90, 16 bytes long.
 Data: < r#&#228;f           > 20 72 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000166E4230A30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000166E4236E80, 16 bytes long.
 Data: <hq#&#228;f           > 68 71 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000166E4236980, 16 bytes long.
 Data: <@q#&#228;f           > 40 71 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000166E42362A0, 16 bytes long.
 Data: < q#&#228;f           > 18 71 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000166E42363E0, 16 bytes long.
 Data: <&#240;p#&#228;f           > F0 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000166E4236ED0, 16 bytes long.
 Data: <&#200;p#&#228;f           > C8 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000166E4236C50, 16 bytes long.
 Data: <&#160;p#&#228;f           > A0 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000166E42362F0, 16 bytes long.
 Data: < ^#&#228;f           > 10 5E 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000166E4235E10, 40 bytes long.
 Data: <&#240;b#&#228;f   &#224;&#210;&#236;&#229;f   > F0 62 23 E4 66 01 00 00 E0 D2 EC E5 66 01 00 00 
{260} normal block at 0x00000166E4236890, 16 bytes long.
 Data: < p#&#228;f           > 80 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000166E4236390, 16 bytes long.
 Data: <Xp#&#228;f           > 58 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000166E4230A90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000166E4236D40, 16 bytes long.
 Data: <0p#&#228;f           > 30 70 23 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000166E4237030, 992 bytes long.
 Data: <@m#&#228;f     #&#228;f   > 40 6D 23 E4 66 01 00 00 90 0A 23 E4 66 01 00 00 
{92} normal block at 0x00000166E4230D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000166E4231CC0, 16 bytes long.
 Data: <0&#223;!&#228;f           > 30 DF 21 E4 66 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000166E421DF30, 40 bytes long.
 Data: <&#192; #&#228;f   0 #&#228;f   > C0 1C 23 E4 66 01 00 00 30 0D 23 E4 66 01 00 00 
{69} normal block at 0x00000166E4231E00, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000166E42319F0, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000166E4231EA0, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000166E4232580, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000166E42327B0, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000166E42325D0, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000166E4232620, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000166E4231860, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000166E4231DB0, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000166E4231A40, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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