Task 38661856

Name test_451-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7452_0
Workunit 31605231
Created 24 Oct 2026, 16:25:07 UTC
Sent 24 Oct 2026, 17:39:29 UTC
Report deadline 29 Oct 2026, 17:39:29 UTC
Received 25 Oct 2026, 3:47:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 19 min 32 sec
CPU time 19 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.09 MB
Peak swap size 5.47 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:09:14 (28620): wrapper (7.9.26016): starting
20:09:14 (28620): 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
20:09:16 (28620): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:09:16 (28620): 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
20:31:33 (28620): C:/Windows/system32/cmd.exe exited; CPU time 1172.593750
20:31:33 (28620): 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: 27453563 bytes.
Dumping objects ->
{3835256} normal block at 0x0000020694E176D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000206930E42D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000206930E4180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x00000206930E3F50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000206930E3EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000020694E27030, 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) : {3835168} normal block at 0x00000206930DF410, 8 bytes long.
 Data: <   &#147;    > 00 00 0B 93 06 02 00 00 
{3833957} normal block at 0x00000206930DF3C0, 8 bytes long.
 Data: <&#160;&#234;Y&#147;    > A0 EA 59 93 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000206930CEFE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000206930D68D0, 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 0x00000206930E5760, 16 bytes long.
 Data: < ^ &#147;            > 88 5E 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206930E5490, 16 bytes long.
 Data: <`^ &#147;            > 60 5E 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206930E0930, 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 0x00000206930E5710, 16 bytes long.
 Data: <8^ &#147;            > 38 5E 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206930E5670, 16 bytes long.
 Data: < ^ &#147;            > 10 5E 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206930E4F40, 16 bytes long.
 Data: <&#232;] &#147;            > E8 5D 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206930E4FE0, 16 bytes long.
 Data: <&#192;] &#147;            > C0 5D 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000206930E3D90, 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 0x00000206930E5350, 16 bytes long.
 Data: <8&#181; &#147;            > 38 B5 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206930E0630, 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 0x00000206930E49F0, 16 bytes long.
 Data: < &#181; &#147;            > 10 B5 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206930E5260, 16 bytes long.
 Data: <&#232;&#180; &#147;            > E8 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206930E5120, 16 bytes long.
 Data: <&#192;&#180; &#147;            > C0 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206930E5080, 16 bytes long.
 Data: < &#180; &#147;            > 98 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206930E58A0, 16 bytes long.
 Data: <p&#180; &#147;            > 70 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206930E4C70, 16 bytes long.
 Data: <H&#180; &#147;            > 48 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206930E0270, 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 0x00000206930E5850, 16 bytes long.
 Data: < &#180; &#147;            > 20 B4 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000206930CB420, 320 bytes long.
 Data: <PX &#147;    p  &#147;    > 50 58 0E 93 06 02 00 00 70 02 0E 93 06 02 00 00 
{274} normal block at 0x00000206930E5210, 16 bytes long.
 Data: <&#160;] &#147;            > A0 5D 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206930E53A0, 16 bytes long.
 Data: <x] &#147;            > 78 5D 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206930E07B0, 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 0x00000206930E5300, 16 bytes long.
 Data: <P] &#147;            > 50 5D 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206930DFDF0, 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 0x00000206930E4B30, 16 bytes long.
 Data: < \ &#147;            > 98 5C 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206930E51C0, 16 bytes long.
 Data: <p\ &#147;            > 70 5C 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206930E5030, 16 bytes long.
 Data: <H\ &#147;            > 48 5C 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206930E52B0, 16 bytes long.
 Data: < \ &#147;            > 20 5C 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206930E4E00, 16 bytes long.
 Data: <&#248;[ &#147;            > F8 5B 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206930E5170, 16 bytes long.
 Data: <&#208;[ &#147;            > D0 5B 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206930E55D0, 16 bytes long.
 Data: <&#240;A &#147;            > F0 41 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000206930E41F0, 40 bytes long.
 Data: <&#208;U &#147;    0p&#226;&#148;    > D0 55 0E 93 06 02 00 00 30 70 E2 94 06 02 00 00 
{260} normal block at 0x00000206930E4EF0, 16 bytes long.
 Data: <&#176;[ &#147;            > B0 5B 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206930E4AE0, 16 bytes long.
 Data: < [ &#147;            > 88 5B 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000206930DFF10, 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 0x00000206930E5620, 16 bytes long.
 Data: <`[ &#147;            > 60 5B 0E 93 06 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000206930E5B60, 992 bytes long.
 Data: < V &#147;     &#255; &#147;    > 20 56 0E 93 06 02 00 00 10 FF 0D 93 06 02 00 00 
{92} normal block at 0x00000206930E00F0, 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 0x00000206930DF0F0, 16 bytes long.
 Data: <&#192;&#227; &#147;            > C0 E3 0C 93 06 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000206930CE3C0, 40 bytes long.
 Data: <&#240;&#240; &#147;    &#240;  &#147;    > F0 F0 0D 93 06 02 00 00 F0 00 0E 93 06 02 00 00 
{69} normal block at 0x00000206930DF5F0, 16 bytes long.
 Data: < &#234;v&#170;&#247;           > 80 EA 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206930DF500, 16 bytes long.
 Data: <@&#233;v&#170;&#247;           > 40 E9 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206930DFAF0, 16 bytes long.
 Data: <&#248;Ws&#170;&#247;           > F8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206930DF9B0, 16 bytes long.
 Data: <&#216;Ws&#170;&#247;           > D8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206930DFCD0, 16 bytes long.
 Data: <P s&#170;&#247;           > 50 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206930DF870, 16 bytes long.
 Data: <0 s&#170;&#247;           > 30 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000206930DED80, 16 bytes long.
 Data: <&#224; s&#170;&#247;           > E0 02 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000206930DFC80, 16 bytes long.
 Data: <  s&#170;&#247;           > 10 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000206930DF780, 16 bytes long.
 Data: <p s&#170;&#247;           > 70 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000206930DEE70, 16 bytes long.
 Data: < &#192;q&#170;&#247;           > 18 C0 71 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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