Task 38681453

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8708_0
Workunit 31623118
Created 27 Oct 2026, 4:02:30 UTC
Sent 27 Oct 2026, 4:02:32 UTC
Report deadline 1 Nov 2026, 4:02:32 UTC
Received 27 Oct 2026, 7:41:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 38 sec
CPU time 33 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.33 MB
Peak swap size 12.99 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:05:05 (9208): wrapper (7.9.26016): starting
03:05:05 (9208): 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
03:05:07 (9208): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:05:07 (9208): 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\11\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\11\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
03:40:24 (9208): C:/Windows/system32/cmd.exe exited; CPU time 2038.203125
03:40:24 (9208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 42560209 bytes.
Dumping objects ->
{3835559} normal block at 0x0000016ECD60DF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000016ECB905160, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000016ECB9057F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000016ECB9054E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000016ECB905470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000016ECD655740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x0000016ECB96AB40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835470} normal block at 0x0000016ECB8FDAD0, 8 bytes long.
 Data: <  &#138;&#203;n   > 00 00 8A CB 6E 01 00 00 
{3834709} normal block at 0x0000016ECB96AE80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000016ECB8FDF80, 8 bytes long.
 Data: <&#240;Yn&#205;n   > F0 59 6E CD 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000016ECB901B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016ECB8F6D70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000016ECB906AD0, 16 bytes long.
 Data: <&#248;t &#203;n           > F8 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016ECB906620, 16 bytes long.
 Data: <&#208;t &#203;n           > D0 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016ECB900060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000016ECB906940, 16 bytes long.
 Data: <&#168;t &#203;n           > A8 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016ECB906210, 16 bytes long.
 Data: < t &#203;n           > 80 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016ECB906300, 16 bytes long.
 Data: <Xt &#203;n           > 58 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016ECB906F80, 16 bytes long.
 Data: <0t &#203;n           > 30 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016ECB905630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000016ECB906A80, 16 bytes long.
 Data: <&#200;] &#203;n           > C8 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016ECB900600, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000016ECB9069E0, 16 bytes long.
 Data: <&#160;] &#203;n           > A0 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016ECB9064E0, 16 bytes long.
 Data: <x] &#203;n           > 78 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016ECB907160, 16 bytes long.
 Data: <P] &#203;n           > 50 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016ECB906B70, 16 bytes long.
 Data: <(] &#203;n           > 28 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016ECB906DA0, 16 bytes long.
 Data: < ] &#203;n           > 00 5D 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016ECB907070, 16 bytes long.
 Data: <&#216;\ &#203;n           > D8 5C 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016ECB900840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000016ECB906CB0, 16 bytes long.
 Data: <&#176;\ &#203;n           > B0 5C 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016ECB905CB0, 320 bytes long.
 Data: <&#176;l &#203;n   @  &#203;n   > B0 6C 90 CB 6E 01 00 00 40 08 90 CB 6E 01 00 00 
{278} normal block at 0x0000016ECB907110, 16 bytes long.
 Data: < t &#203;n           > 10 74 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016ECB906BC0, 16 bytes long.
 Data: <&#232;s &#203;n           > E8 73 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016ECB900480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000016ECB9068A0, 16 bytes long.
 Data: <&#192;s &#203;n           > C0 73 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016ECB8FFEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000016ECB9070C0, 16 bytes long.
 Data: < s &#203;n           > 08 73 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016ECB906A30, 16 bytes long.
 Data: <&#224;r &#203;n           > E0 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016ECB906490, 16 bytes long.
 Data: <&#184;r &#203;n           > B8 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016ECB906440, 16 bytes long.
 Data: < r &#203;n           > 90 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016ECB906530, 16 bytes long.
 Data: <hr &#203;n           > 68 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016ECB906C60, 16 bytes long.
 Data: <@r &#203;n           > 40 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016ECB906F30, 16 bytes long.
 Data: <&#176;R &#203;n           > B0 52 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016ECB9052B0, 40 bytes long.
 Data: <0o &#203;n   @We&#205;n   > 30 6F 90 CB 6E 01 00 00 40 57 65 CD 6E 01 00 00 
{264} normal block at 0x0000016ECB906670, 16 bytes long.
 Data: < r &#203;n           > 20 72 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016ECB9065D0, 16 bytes long.
 Data: <&#248;q &#203;n           > F8 71 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016ECB8FFE20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000016ECB906850, 16 bytes long.
 Data: <&#208;q &#203;n           > D0 71 90 CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016ECB9071D0, 992 bytes long.
 Data: <Ph &#203;n    &#254; &#203;n   > 50 68 90 CB 6E 01 00 00 20 FE 8F CB 6E 01 00 00 
{96} normal block at 0x0000016ECB900660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000016ECB8FE700, 16 bytes long.
 Data: < &#205;&#142;&#203;n           > 80 CD 8E CB 6E 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000016ECB8ECD80, 40 bytes long.
 Data: < &#231; &#203;n   `  &#203;n   > 00 E7 8F CB 6E 01 00 00 60 06 90 CB 6E 01 00 00 
{73} normal block at 0x0000016ECB8FE6B0, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016ECB8FE890, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016ECB8FDC60, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016ECB8FE110, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016ECB8FDEE0, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016ECB8FDD00, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016ECB8FE160, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016ECB8FDBC0, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016ECB8FD990, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016ECB8FDB70, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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