Task 38687000

Name test_491-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4542_0
Workunit 31628406
Created 28 Oct 2026, 5:27:46 UTC
Sent 28 Oct 2026, 5:27:47 UTC
Report deadline 2 Nov 2026, 5:27:47 UTC
Received 28 Oct 2026, 6:45:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 35 sec
CPU time 34 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,977.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.49 MB
Peak swap size 5.28 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:08:26 (187000): wrapper (7.9.26016): starting
01:08:26 (187000): 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
01:08:30 (187000): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:08:30 (187000): 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 'E:\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 'E:\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
01:44:57 (187000): C:/Windows/system32/cmd.exe exited; CPU time 2059.859375
01:44:57 (187000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 35841601 bytes.
Dumping objects ->
{3835286} normal block at 0x000001D7A22C04E0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001D7A22BFB40, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000001D7A22BF6E0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x000001D7A0607070, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001D7A0607000, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x000001D7A230D990, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001D7A066C4E0, 141 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) : {3835197} normal block at 0x000001D7A05FF490, 8 bytes long.
 Data: <  &#159;&#160;&#215;   > 00 00 9F A0 D7 01 00 00 
{3834570} normal block at 0x000001D7A066BF30, 141 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 0x000001D7A05FF170, 8 bytes long.
 Data: <&#192;h6&#162;&#215;   > C0 68 36 A2 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D7A0603D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D7A05F79B0, 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 0x000001D7A0608040, 16 bytes long.
 Data: <&#184;&#133;`&#160;&#215;           > B8 85 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D7A06072D0, 16 bytes long.
 Data: < &#133;`&#160;&#215;           > 90 85 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D7A06016F0, 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 0x000001D7A0607D20, 16 bytes long.
 Data: <h&#133;`&#160;&#215;           > 68 85 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D7A0607EB0, 16 bytes long.
 Data: <@&#133;`&#160;&#215;           > 40 85 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D7A0608220, 16 bytes long.
 Data: < &#133;`&#160;&#215;           > 18 85 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D7A06076E0, 16 bytes long.
 Data: <&#240;&#132;`&#160;&#215;           > F0 84 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D7A06070E0, 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 0x000001D7A06075A0, 16 bytes long.
 Data: <8&#190;^&#160;&#215;           > 38 BE 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7A06017B0, 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 0x000001D7A0607DC0, 16 bytes long.
 Data: < &#190;^&#160;&#215;           > 10 BE 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D7A06080E0, 16 bytes long.
 Data: <&#232;&#189;^&#160;&#215;           > E8 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D7A0608090, 16 bytes long.
 Data: <&#192;&#189;^&#160;&#215;           > C0 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7A06081D0, 16 bytes long.
 Data: < &#189;^&#160;&#215;           > 98 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D7A06077D0, 16 bytes long.
 Data: <p&#189;^&#160;&#215;           > 70 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D7A0607370, 16 bytes long.
 Data: <H&#189;^&#160;&#215;           > 48 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7A0601BD0, 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 0x000001D7A0607B40, 16 bytes long.
 Data: < &#189;^&#160;&#215;           > 20 BD 5E A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D7A05EBD20, 320 bytes long.
 Data: <@{`&#160;&#215;   &#208; `&#160;&#215;   > 40 7B 60 A0 D7 01 00 00 D0 1B 60 A0 D7 01 00 00 
{276} normal block at 0x000001D7A0607AA0, 16 bytes long.
 Data: <&#208;&#132;`&#160;&#215;           > D0 84 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7A0607CD0, 16 bytes long.
 Data: <&#168;&#132;`&#160;&#215;           > A8 84 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D7A0601210, 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 0x000001D7A0607C80, 16 bytes long.
 Data: < &#132;`&#160;&#215;           > 80 84 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7A0601450, 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 0x000001D7A0607C30, 16 bytes long.
 Data: <&#200;&#131;`&#160;&#215;           > C8 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D7A0607820, 16 bytes long.
 Data: <&#160;&#131;`&#160;&#215;           > A0 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D7A0607BE0, 16 bytes long.
 Data: <x&#131;`&#160;&#215;           > 78 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D7A0607FF0, 16 bytes long.
 Data: <P&#131;`&#160;&#215;           > 50 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7A0607F00, 16 bytes long.
 Data: <(&#131;`&#160;&#215;           > 28 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7A0607B90, 16 bytes long.
 Data: < &#131;`&#160;&#215;           > 00 83 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7A0607FA0, 16 bytes long.
 Data: <Pq`&#160;&#215;           > 50 71 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D7A0607150, 40 bytes long.
 Data: <&#160; `&#160;&#215;    &#217;0&#162;&#215;   > A0 7F 60 A0 D7 01 00 00 90 D9 30 A2 D7 01 00 00 
{262} normal block at 0x000001D7A0607F50, 16 bytes long.
 Data: <&#224;&#130;`&#160;&#215;           > E0 82 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D7A06073C0, 16 bytes long.
 Data: <&#184;&#130;`&#160;&#215;           > B8 82 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D7A06012D0, 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 0x000001D7A0607E10, 16 bytes long.
 Data: < &#130;`&#160;&#215;           > 90 82 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D7A0608290, 992 bytes long.
 Data: < ~`&#160;&#215;   &#208; `&#160;&#215;   > 10 7E 60 A0 D7 01 00 00 D0 12 60 A0 D7 01 00 00 
{94} normal block at 0x000001D7A0601DB0, 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 0x000001D7A05FEEA0, 16 bytes long.
 Data: <0k`&#160;&#215;           > 30 6B 60 A0 D7 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D7A0606B30, 40 bytes long.
 Data: <&#160;&#238;_&#160;&#215;   &#176; `&#160;&#215;   > A0 EE 5F A0 D7 01 00 00 B0 1D 60 A0 D7 01 00 00 
{71} normal block at 0x000001D7A05FF8F0, 16 bytes long.
 Data: < &#234;&#155;&#216;&#246;           > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D7A05FEF40, 16 bytes long.
 Data: <@&#233;&#155;&#216;&#246;           > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D7A05FEAE0, 16 bytes long.
 Data: <&#248;W &#216;&#246;           > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D7A05FF3A0, 16 bytes long.
 Data: <&#216;W &#216;&#246;           > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7A05FEC20, 16 bytes long.
 Data: <P  &#216;&#246;           > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D7A05FEA90, 16 bytes long.
 Data: <0  &#216;&#246;           > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D7A05FEDB0, 16 bytes long.
 Data: <&#224;  &#216;&#246;           > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D7A05FF440, 16 bytes long.
 Data: <   &#216;&#246;           > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D7A05FEC70, 16 bytes long.
 Data: <p  &#216;&#246;           > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D7A05FF3F0, 16 bytes long.
 Data: < &#192;&#150;&#216;&#246;           > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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