Task 38685041

Name test_357-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3219_0
Workunit 31626530
Created 27 Oct 2026, 19:06:37 UTC
Sent 27 Oct 2026, 19:06:41 UTC
Report deadline 1 Nov 2026, 19:06:41 UTC
Received 27 Oct 2026, 20:38:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 44 min
CPU time 36 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.48 MB
Peak swap size 2.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:55:38 (12948): wrapper (7.9.26016): starting
20:55:38 (12948): 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
20:55:40 (12948): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:55:40 (12948): 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\2\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\2\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
21:37:52 (12948): C:/Windows/system32/cmd.exe exited; CPU time 2188.906250
21:37:52 (12948): 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: 29786025 bytes.
Dumping objects ->
{3835267} normal block at 0x00000237CDEE4480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x00000237CDEE4B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000237CDEE45D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x00000237CDEE4800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000237CDEE4790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x00000237CFC49430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000237CFC5E550, 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) : {3835178} normal block at 0x00000237CDEDE690, 8 bytes long.
 Data: <  9&#206;7   > 00 00 39 CE 37 02 00 00 
{3834558} normal block at 0x00000237CFC5DFD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x00000237CDEDE640, 8 bytes long.
 Data: <&#208;J&#205;&#207;7   > D0 4A CD CF 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000237CDEE0BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000237CDED6D70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000237CDEE5B30, 16 bytes long.
 Data: <&#232;a&#238;&#205;7           > E8 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000237CDEE5220, 16 bytes long.
 Data: <&#192;a&#238;&#205;7           > C0 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000237CDEDF540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000237CDEE5C20, 16 bytes long.
 Data: < a&#238;&#205;7           > 98 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000237CDEE5AE0, 16 bytes long.
 Data: <pa&#238;&#205;7           > 70 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000237CDEE53B0, 16 bytes long.
 Data: <Ha&#238;&#205;7           > 48 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000237CDEE4FF0, 16 bytes long.
 Data: < a&#238;&#205;7           > 20 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000237CDEE4AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000237CDEE4F00, 16 bytes long.
 Data: < &#179;&#236;&#205;7           > 98 B3 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237CDEDF0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000237CDEE51D0, 16 bytes long.
 Data: <p&#179;&#236;&#205;7           > 70 B3 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000237CDEE5590, 16 bytes long.
 Data: <H&#179;&#236;&#205;7           > 48 B3 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000237CDEE5A90, 16 bytes long.
 Data: < &#179;&#236;&#205;7           > 20 B3 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000237CDEE5D10, 16 bytes long.
 Data: <&#248;&#178;&#236;&#205;7           > F8 B2 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000237CDEE5E50, 16 bytes long.
 Data: <&#208;&#178;&#236;&#205;7           > D0 B2 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000237CDEE5900, 16 bytes long.
 Data: <&#168;&#178;&#236;&#205;7           > A8 B2 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000237CDEDF4E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000237CDEE5720, 16 bytes long.
 Data: < &#178;&#236;&#205;7           > 80 B2 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237CDECB280, 320 bytes long.
 Data: < W&#238;&#205;7   &#224;&#244;&#237;&#205;7   > 20 57 EE CD 37 02 00 00 E0 F4 ED CD 37 02 00 00 
{272} normal block at 0x00000237CDEE5400, 16 bytes long.
 Data: < a&#238;&#205;7           > 00 61 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000237CDEE59F0, 16 bytes long.
 Data: <&#216;`&#238;&#205;7           > D8 60 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000237CDEDF900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000237CDEE5860, 16 bytes long.
 Data: <&#176;`&#238;&#205;7           > B0 60 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000237CDEDF480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000237CDEE58B0, 16 bytes long.
 Data: <&#248;_&#238;&#205;7           > F8 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237CDEE5E00, 16 bytes long.
 Data: <&#208;_&#238;&#205;7           > D0 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000237CDEE5A40, 16 bytes long.
 Data: <&#168;_&#238;&#205;7           > A8 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000237CDEE59A0, 16 bytes long.
 Data: < _&#238;&#205;7           > 80 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000237CDEE56D0, 16 bytes long.
 Data: <X_&#238;&#205;7           > 58 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000237CDEE4FA0, 16 bytes long.
 Data: <0_&#238;&#205;7           > 30 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000237CDEE5680, 16 bytes long.
 Data: <`E&#238;&#205;7           > 60 45 EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000237CDEE4560, 40 bytes long.
 Data: < V&#238;&#205;7   0&#148;&#196;&#207;7   > 80 56 EE CD 37 02 00 00 30 94 C4 CF 37 02 00 00 
{258} normal block at 0x00000237CDEE5BD0, 16 bytes long.
 Data: < _&#238;&#205;7           > 10 5F EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000237CDEE5D60, 16 bytes long.
 Data: <&#232;^&#238;&#205;7           > E8 5E EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000237CDEDF6C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000237CDEE4F50, 16 bytes long.
 Data: <&#192;^&#238;&#205;7           > C0 5E EE CD 37 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000237CDEE5EC0, 992 bytes long.
 Data: <PO&#238;&#205;7   &#192;&#246;&#237;&#205;7   > 50 4F EE CD 37 02 00 00 C0 F6 ED CD 37 02 00 00 
{90} normal block at 0x00000237CDEDF120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000237CDEDE5F0, 16 bytes long.
 Data: <&#224;&#196;&#236;&#205;7           > E0 C4 EC CD 37 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000237CDECC4E0, 40 bytes long.
 Data: <&#240;&#229;&#237;&#205;7    &#241;&#237;&#205;7   > F0 E5 ED CD 37 02 00 00 20 F1 ED CD 37 02 00 00 
{67} normal block at 0x00000237CDEDECD0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000237CDEDEB90, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 04 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000237CDEDEF00, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000237CDEDEE60, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000237CDEDEC80, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000237CDEDE5A0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000237CDEDE820, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000237CDEDEDC0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000237CDEDED20, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 01 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000237CDEDE9B0, 16 bytes long.
 Data: < &#192;&#255;&#155;&#247;           > 18 C0 FF 9B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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