Task 38673798

Name test_271-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0767_0
Workunit 31615861
Created 26 Oct 2026, 3:25:35 UTC
Sent 26 Oct 2026, 3:25:41 UTC
Report deadline 31 Oct 2026, 3:25:41 UTC
Received 26 Oct 2026, 3:48:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 58 sec
CPU time 21 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.84 MB
Peak swap size 12.98 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:26:44 (48528): wrapper (7.9.26016): starting
23:26:44 (48528): 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
23:26:45 (48528): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:26:45 (48528): 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 'G:\BoincData\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 'G:\BoincData\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
23:47:51 (48528): C:/Windows/system32/cmd.exe exited; CPU time 1269.484375
23:47:51 (48528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27000171 bytes.
Dumping objects ->
{3835574} normal block at 0x000002023E3F0D10, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x000002023E536FE0, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x000002023E5377C0, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x000002023E5373A0, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x000002023E538300, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x000002023E3F1020, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000002023C66EDF0, 8 bytes long.
 Data: <  &#209;<    > 00 00 D1 3C 02 02 00 00 
{3833957} normal block at 0x000002023C66F2F0, 8 bytes long.
 Data: <p&#231;?>    > 70 E7 3F 3E 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002023C6720B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002023C668EA0, 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 0x000002023C67D770, 16 bytes long.
 Data: <8&#221;g<            > 38 DD 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002023C67D130, 16 bytes long.
 Data: < &#221;g<            > 10 DD 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002023C679B20, 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 0x000002023C67CAA0, 16 bytes long.
 Data: <&#232;&#220;g<            > E8 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002023C67D400, 16 bytes long.
 Data: <&#192;&#220;g<            > C0 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002023C67D680, 16 bytes long.
 Data: < &#220;g<            > 98 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002023C67CFF0, 16 bytes long.
 Data: <p&#220;g<            > 70 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002023C676C60, 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 0x000002023C67D0E0, 16 bytes long.
 Data: <&#248;&#154;f<            > F8 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002023C6799A0, 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 0x000002023C67D3B0, 16 bytes long.
 Data: <&#208;&#154;f<            > D0 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002023C67CFA0, 16 bytes long.
 Data: <&#168;&#154;f<            > A8 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002023C67D5E0, 16 bytes long.
 Data: < &#154;f<            > 80 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002023C67D180, 16 bytes long.
 Data: <X&#154;f<            > 58 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002023C67CF50, 16 bytes long.
 Data: <0&#154;f<            > 30 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002023C67D310, 16 bytes long.
 Data: < &#154;f<            > 08 9A 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002023C679BE0, 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 0x000002023C67CEB0, 16 bytes long.
 Data: <&#224; f<            > E0 99 66 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002023C6699E0, 320 bytes long.
 Data: <&#176;&#206;g<    &#224;&#155;g<    > B0 CE 67 3C 02 02 00 00 E0 9B 67 3C 02 02 00 00 
{274} normal block at 0x000002023C67CA50, 16 bytes long.
 Data: <P&#220;g<            > 50 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002023C67D590, 16 bytes long.
 Data: <(&#220;g<            > 28 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002023C679DC0, 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 0x000002023C67D090, 16 bytes long.
 Data: < &#220;g<            > 00 DC 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002023C67A0C0, 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 0x000002023C67D9A0, 16 bytes long.
 Data: <H&#219;g<            > 48 DB 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002023C67CB40, 16 bytes long.
 Data: < &#219;g<            > 20 DB 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002023C67D950, 16 bytes long.
 Data: <&#248;&#218;g<            > F8 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002023C67CD20, 16 bytes long.
 Data: <&#208;&#218;g<            > D0 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002023C67CDC0, 16 bytes long.
 Data: <&#168;&#218;g<            > A8 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002023C67D860, 16 bytes long.
 Data: < &#218;g<            > 80 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002023C67CE60, 16 bytes long.
 Data: < og<            > 00 6F 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002023C676F00, 40 bytes long.
 Data: <`&#206;g<      ?>    > 60 CE 67 3C 02 02 00 00 20 10 3F 3E 02 02 00 00 
{260} normal block at 0x000002023C67D8B0, 16 bytes long.
 Data: <`&#218;g<            > 60 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002023C67CAF0, 16 bytes long.
 Data: <8&#218;g<            > 38 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002023C679D60, 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 0x000002023C67D540, 16 bytes long.
 Data: < &#218;g<            > 10 DA 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002023C67DA10, 992 bytes long.
 Data: <@&#213;g<    ` g<    > 40 D5 67 3C 02 02 00 00 60 9D 67 3C 02 02 00 00 
{92} normal block at 0x000002023C679C40, 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 0x000002023C66FCA0, 16 bytes long.
 Data: <&#192;ig<            > C0 69 67 3C 02 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002023C6769C0, 40 bytes long.
 Data: <&#160;&#252;f<    @&#156;g<    > A0 FC 66 3C 02 02 00 00 40 9C 67 3C 02 02 00 00 
{69} normal block at 0x000002023C66FC00, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002023C66F160, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002023C66EF80, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002023C66FBB0, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002023C66FA70, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002023C66EFD0, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002023C66F110, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002023C66FC50, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002023C66F340, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002023C66F0C0, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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