Task 38678793

Name test_799-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4048_0
Workunit 31620598
Created 26 Oct 2026, 18:30:49 UTC
Sent 26 Oct 2026, 18:30:55 UTC
Report deadline 31 Oct 2026, 18:30:55 UTC
Received 26 Oct 2026, 19:37:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 28 min 1 sec
CPU time 25 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.09 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:00:16 (19520): wrapper (7.9.26016): starting
20:00:16 (19520): 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
20:00:17 (19520): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:00:17 (19520): 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
20:27:27 (19520): C:/Windows/system32/cmd.exe exited; CPU time 1532.796875
20:27:27 (19520): 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: 20613805 bytes.
Dumping objects ->
{3835234} normal block at 0x00000201D678D490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000201D678D7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000201D678DF10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000201D678D6C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000201D4A950A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000201D67DA700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000201D67EE680, 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) : {3835145} normal block at 0x00000201D4A8F770, 8 bytes long.
 Data: <  &#161;&#212;    > 00 00 A1 D4 01 02 00 00 
{3834542} normal block at 0x00000201D67EE940, 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 0x00000201D4A8F8B0, 8 bytes long.
 Data: <&#176;&#217;&#167;&#212;    > B0 D9 A7 D4 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000201D4A90CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000201D4A861B0, 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 0x00000201D4A95B90, 16 bytes long.
 Data: <xi&#169;&#212;            > 78 69 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000201D4A96180, 16 bytes long.
 Data: <Pi&#169;&#212;            > 50 69 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000201D4A8FD30, 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 0x00000201D4A95BE0, 16 bytes long.
 Data: <(i&#169;&#212;            > 28 69 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000201D4A95820, 16 bytes long.
 Data: < i&#169;&#212;            > 00 69 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000201D4A96310, 16 bytes long.
 Data: <&#216;h&#169;&#212;            > D8 68 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000201D4A95A50, 16 bytes long.
 Data: <&#176;h&#169;&#212;            > B0 68 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000201D4A95110, 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 0x00000201D4A96130, 16 bytes long.
 Data: <&#168;&#232;&#168;&#212;            > A8 E8 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000201D4A90990, 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 0x00000201D4A963B0, 16 bytes long.
 Data: < &#232;&#168;&#212;            > 80 E8 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201D4A96270, 16 bytes long.
 Data: <X&#232;&#168;&#212;            > 58 E8 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000201D4A95FA0, 16 bytes long.
 Data: <0&#232;&#168;&#212;            > 30 E8 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000201D4A95780, 16 bytes long.
 Data: < &#232;&#168;&#212;            > 08 E8 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000201D4A96540, 16 bytes long.
 Data: <&#224;&#231;&#168;&#212;            > E0 E7 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000201D4A96450, 16 bytes long.
 Data: <&#184;&#231;&#168;&#212;            > B8 E7 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000201D4A90270, 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 0x00000201D4A95F50, 16 bytes long.
 Data: < &#231;&#168;&#212;            > 90 E7 A8 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000201D4A8E790, 320 bytes long.
 Data: <P_&#169;&#212;    p &#169;&#212;    > 50 5F A9 D4 01 02 00 00 70 02 A9 D4 01 02 00 00 
{276} normal block at 0x00000201D4A957D0, 16 bytes long.
 Data: < h&#169;&#212;            > 90 68 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000201D4A95AF0, 16 bytes long.
 Data: <hh&#169;&#212;            > 68 68 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000201D4A90570, 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 0x00000201D4A958C0, 16 bytes long.
 Data: <@h&#169;&#212;            > 40 68 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000201D4A90210, 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 0x00000201D4A95730, 16 bytes long.
 Data: < g&#169;&#212;            > 88 67 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000201D4A962C0, 16 bytes long.
 Data: <`g&#169;&#212;            > 60 67 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000201D4A95A00, 16 bytes long.
 Data: <8g&#169;&#212;            > 38 67 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000201D4A964F0, 16 bytes long.
 Data: < g&#169;&#212;            > 10 67 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000201D4A960E0, 16 bytes long.
 Data: <&#232;f&#169;&#212;            > E8 66 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000201D4A964A0, 16 bytes long.
 Data: <&#192;f&#169;&#212;            > C0 66 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000201D4A95B40, 16 bytes long.
 Data: <0P&#169;&#212;            > 30 50 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000201D4A95030, 40 bytes long.
 Data: <@[&#169;&#212;     &#167;}&#214;    > 40 5B A9 D4 01 02 00 00 00 A7 7D D6 01 02 00 00 
{262} normal block at 0x00000201D4A95F00, 16 bytes long.
 Data: <&#160;f&#169;&#212;            > A0 66 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000201D4A956E0, 16 bytes long.
 Data: <xf&#169;&#212;            > 78 66 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000201D4A909F0, 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 0x00000201D4A96400, 16 bytes long.
 Data: <Pf&#169;&#212;            > 50 66 A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000201D4A96650, 992 bytes long.
 Data: < d&#169;&#212;    &#240;	&#169;&#212;    > 00 64 A9 D4 01 02 00 00 F0 09 A9 D4 01 02 00 00 
{94} normal block at 0x00000201D4A8FF10, 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 0x00000201D4A8EDC0, 16 bytes long.
 Data: <&#208;K&#169;&#212;            > D0 4B A9 D4 01 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000201D4A94BD0, 40 bytes long.
 Data: <&#192;&#237;&#168;&#212;     &#255;&#168;&#212;    > C0 ED A8 D4 01 02 00 00 10 FF A8 D4 01 02 00 00 
{71} normal block at 0x00000201D4A8ED70, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000201D4A8F180, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000201D4A8F950, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000201D4A8ED20, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000201D4A8F2C0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000201D4A8F090, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000201D4A8EC80, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000201D4A8EB90, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000201D4A8EB40, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000201D4A8FA90, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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