Task 38667116

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4817_1
Workunit 31608464
Created 25 Oct 2026, 6:24:40 UTC
Sent 25 Oct 2026, 6:28:26 UTC
Report deadline 30 Oct 2026, 6:28:26 UTC
Received 25 Oct 2026, 7:44:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651274
Run time 29 min 2 sec
CPU time 27 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.37 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:16:21 (115356): wrapper (7.9.26016): starting
02:16:21 (115356): 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
02:16:22 (115356): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:16:22 (115356): 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\18\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\18\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
02:44:15 (115356): C:/Windows/system32/cmd.exe exited; CPU time 1632.687500
02:44:15 (115356): 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: 29317107 bytes.
Dumping objects ->
{3835249} normal block at 0x0000028F9D06DA70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000028F9B3E4CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000028F9B3E4AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000028F9B3E4C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000028F9B3E49E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000028F9D0B4670, 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) : {3835161} normal block at 0x0000028F9B3E0FE0, 8 bytes long.
 Data: <  &#138;&#155;    > 00 00 8A 9B 8F 02 00 00 
{3833955} normal block at 0x0000028F9B3E0CC0, 8 bytes long.
 Data: <`&#235;K&#155;    > 60 EB 4B 9B 8F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028F9B3D5F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028F9B3D7BD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000028F9B3E6540, 16 bytes long.
 Data: < V>&#155;            > 88 56 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028F9B3E5AA0, 16 bytes long.
 Data: <`V>&#155;            > 60 56 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028F9B3DFC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000028F9B3E5EB0, 16 bytes long.
 Data: <8V>&#155;            > 38 56 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028F9B3E57D0, 16 bytes long.
 Data: < V>&#155;            > 10 56 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028F9B3E59B0, 16 bytes long.
 Data: <&#232;U>&#155;            > E8 55 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028F9B3E6720, 16 bytes long.
 Data: <&#192;U>&#155;            > C0 55 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028F9B3E4970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000028F9B3E5960, 16 bytes long.
 Data: <&#184;&#159;=&#155;            > B8 9F 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028F9B3DFF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000028F9B3E6590, 16 bytes long.
 Data: < &#159;=&#155;            > 90 9F 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028F9B3E6040, 16 bytes long.
 Data: <h&#159;=&#155;            > 68 9F 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028F9B3E63B0, 16 bytes long.
 Data: <@&#159;=&#155;            > 40 9F 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028F9B3E5A50, 16 bytes long.
 Data: < &#159;=&#155;            > 18 9F 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028F9B3E5FA0, 16 bytes long.
 Data: <&#240;&#158;=&#155;            > F0 9E 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028F9B3E6360, 16 bytes long.
 Data: <&#200;&#158;=&#155;            > C8 9E 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028F9B3E0260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000028F9B3E5C30, 16 bytes long.
 Data: <&#160;&#158;=&#155;            > A0 9E 3D 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028F9B3D9EA0, 320 bytes long.
 Data: <0\>&#155;    ` >&#155;    > 30 5C 3E 9B 8F 02 00 00 60 02 3E 9B 8F 02 00 00 
{273} normal block at 0x0000028F9B3E64F0, 16 bytes long.
 Data: <&#160;U>&#155;            > A0 55 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028F9B3E6400, 16 bytes long.
 Data: <xU>&#155;            > 78 55 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028F9B3E04A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000028F9B3E64A0, 16 bytes long.
 Data: <PU>&#155;            > 50 55 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028F9B3DFC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000028F9B3E5CD0, 16 bytes long.
 Data: < T>&#155;            > 98 54 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028F9B3E5E60, 16 bytes long.
 Data: <pT>&#155;            > 70 54 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028F9B3E66D0, 16 bytes long.
 Data: <HT>&#155;            > 48 54 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028F9B3E5910, 16 bytes long.
 Data: < T>&#155;            > 20 54 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028F9B3E0950, 16 bytes long.
 Data: <&#248;S>&#155;            > F8 53 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028F9B3E0E50, 16 bytes long.
 Data: <&#208;S>&#155;            > D0 53 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028F9B3E08B0, 16 bytes long.
 Data: <0K>&#155;            > 30 4B 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028F9B3E4B30, 40 bytes long.
 Data: <&#176; >&#155;    pF      > B0 08 3E 9B 8F 02 00 00 70 46 0B 9D 8F 02 00 00 
{259} normal block at 0x0000028F9B3E0860, 16 bytes long.
 Data: <&#176;S>&#155;            > B0 53 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028F9B3E1620, 16 bytes long.
 Data: < S>&#155;            > 88 53 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028F9B3DF900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000028F9B3E1440, 16 bytes long.
 Data: <`S>&#155;            > 60 53 3E 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028F9B3E5360, 992 bytes long.
 Data: <@ >&#155;     &#249;=&#155;    > 40 14 3E 9B 8F 02 00 00 00 F9 3D 9B 8F 02 00 00 
{91} normal block at 0x0000028F9B3DFA20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000028F9B3E0C70, 16 bytes long.
 Data: < &#227;<&#155;            > 20 E3 3C 9B 8F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000028F9B3CE320, 40 bytes long.
 Data: <p >&#155;     &#250;=&#155;    > 70 0C 3E 9B 8F 02 00 00 20 FA 3D 9B 8F 02 00 00 
{68} normal block at 0x0000028F9B3E0EA0, 16 bytes long.
 Data: < &#234;&#184;&#171;&#246;           > 80 EA B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028F9B3E0C20, 16 bytes long.
 Data: <@&#233;&#184;&#171;&#246;           > 40 E9 B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028F9B3E1490, 16 bytes long.
 Data: <&#248;W&#181;&#171;&#246;           > F8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028F9B3E0F90, 16 bytes long.
 Data: <&#216;W&#181;&#171;&#246;           > D8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028F9B3E0BD0, 16 bytes long.
 Data: <P &#181;&#171;&#246;           > 50 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028F9B3E1170, 16 bytes long.
 Data: <0 &#181;&#171;&#246;           > 30 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028F9B3E1260, 16 bytes long.
 Data: <&#224; &#181;&#171;&#246;           > E0 02 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028F9B3E13A0, 16 bytes long.
 Data: <  &#181;&#171;&#246;           > 10 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028F9B3E15D0, 16 bytes long.
 Data: <p &#181;&#171;&#246;           > 70 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028F9B3E1120, 16 bytes long.
 Data: < &#192;&#179;&#171;&#246;           > 18 C0 B3 AB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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