Task 38672211

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2835_0
Workunit 31614375
Created 25 Oct 2026, 22:45:50 UTC
Sent 25 Oct 2026, 22:45:58 UTC
Report deadline 30 Oct 2026, 22:45:58 UTC
Received 25 Oct 2026, 23:19:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 32 min 56 sec
CPU time 28 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.45 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:47:44 (27628): wrapper (7.9.26016): starting
23:47:44 (27628): 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
23:47:45 (27628): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:47:45 (27628): 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
00:19:00 (27628): C:/Windows/system32/cmd.exe exited; CPU time 1704.640625
00:19:00 (27628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 42121539 bytes.
Dumping objects ->
{3835219} normal block at 0x000002795BA7DFC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002795BA7E1F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002795BA7DE00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002795BA7DC40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000027959E452D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000002795BACA130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002795BADEE20, 102 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) : {3835130} normal block at 0x0000027959E3DE30, 8 bytes long.
 Data: <  &#220;Yy   > 00 00 DC 59 79 02 00 00 
{3834536} normal block at 0x000002795BADF0E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000027959E3D7A0, 8 bytes long.
 Data: <&#224;H&#228;Yy   > E0 48 E4 59 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027959E42450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027959E36D40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000027959E46110, 16 bytes long.
 Data: <hm&#228;Yy           > 68 6D E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027959E46890, 16 bytes long.
 Data: <@m&#228;Yy           > 40 6D E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027959E3F7E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027959E466B0, 16 bytes long.
 Data: < m&#228;Yy           > 18 6D E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027959E45E40, 16 bytes long.
 Data: <&#240;l&#228;Yy           > F0 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027959E469D0, 16 bytes long.
 Data: <&#200;l&#228;Yy           > C8 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027959E45B70, 16 bytes long.
 Data: <&#160;l&#228;Yy           > A0 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027959E45180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000027959E45FD0, 16 bytes long.
 Data: < &#238;&#226;Yy           > 88 EE E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027959E3F780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000027959E45AD0, 16 bytes long.
 Data: <`&#238;&#226;Yy           > 60 EE E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027959E45F80, 16 bytes long.
 Data: <8&#238;&#226;Yy           > 38 EE E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027959E45C60, 16 bytes long.
 Data: < &#238;&#226;Yy           > 10 EE E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027959E46570, 16 bytes long.
 Data: <&#232;&#237;&#226;Yy           > E8 ED E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027959E46340, 16 bytes long.
 Data: <&#192;&#237;&#226;Yy           > C0 ED E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027959E463E0, 16 bytes long.
 Data: < &#237;&#226;Yy           > 98 ED E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027959E3F9C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000027959E45DF0, 16 bytes long.
 Data: <p&#237;&#226;Yy           > 70 ED E2 59 79 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027959E2ED70, 320 bytes long.
 Data: <&#240;]&#228;Yy   &#192;&#249;&#227;Yy   > F0 5D E4 59 79 02 00 00 C0 F9 E3 59 79 02 00 00 
{276} normal block at 0x0000027959E46480, 16 bytes long.
 Data: < l&#228;Yy           > 80 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027959E467A0, 16 bytes long.
 Data: <Xl&#228;Yy           > 58 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027959E40140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000027959E46200, 16 bytes long.
 Data: <0l&#228;Yy           > 30 6C E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027959E40680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000027959E45D50, 16 bytes long.
 Data: <xk&#228;Yy           > 78 6B E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027959E464D0, 16 bytes long.
 Data: <Pk&#228;Yy           > 50 6B E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027959E462F0, 16 bytes long.
 Data: <(k&#228;Yy           > 28 6B E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027959E45DA0, 16 bytes long.
 Data: < k&#228;Yy           > 00 6B E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027959E46750, 16 bytes long.
 Data: <&#216;j&#228;Yy           > D8 6A E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027959E45EE0, 16 bytes long.
 Data: <&#176;j&#228;Yy           > B0 6A E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027959E462A0, 16 bytes long.
 Data: <&#160;P&#228;Yy           > A0 50 E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027959E450A0, 40 bytes long.
 Data: <&#160;b&#228;Yy   0&#161;&#172;[y   > A0 62 E4 59 79 02 00 00 30 A1 AC 5B 79 02 00 00 
{262} normal block at 0x0000027959E46930, 16 bytes long.
 Data: < j&#228;Yy           > 90 6A E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027959E46250, 16 bytes long.
 Data: <hj&#228;Yy           > 68 6A E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027959E40560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000027959E461B0, 16 bytes long.
 Data: <@j&#228;Yy           > 40 6A E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027959E46A40, 992 bytes long.
 Data: <&#176;a&#228;Yy   ` &#228;Yy   > B0 61 E4 59 79 02 00 00 60 05 E4 59 79 02 00 00 
{94} normal block at 0x0000027959E3F900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000027959E3DCA0, 16 bytes long.
 Data: <pU&#228;Yy           > 70 55 E4 59 79 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027959E45570, 40 bytes long.
 Data: <&#160;&#220;&#227;Yy    &#249;&#227;Yy   > A0 DC E3 59 79 02 00 00 00 F9 E3 59 79 02 00 00 
{71} normal block at 0x0000027959E3D980, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027959E3DC50, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027959E3DB60, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027959E3D890, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027959E3E240, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027959E3DF20, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027959E3DAC0, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027959E3E150, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027959E3DB10, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027959E3D930, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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