Task 38685520

Name test_357-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3219_0
Workunit 31626985
Created 27 Oct 2026, 21:29:57 UTC
Sent 27 Oct 2026, 21:30:01 UTC
Report deadline 1 Nov 2026, 21:30:01 UTC
Received 27 Oct 2026, 22:21:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610527
Run time 49 min 45 sec
CPU time 43 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.75 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:31:33 (29392): wrapper (7.9.26016): starting
16:31:33 (29392): 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
16:31:35 (29392): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:31:35 (29392): 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\19\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\19\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
17:19:58 (29392): C:/Windows/system32/cmd.exe exited; CPU time 2599.750000
17:19:58 (29392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 57360131 bytes.
Dumping objects ->
{3835255} normal block at 0x000001661ECA4A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001661ECA4A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001661ECA49B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001661ECA4940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001661ECA4E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000166208F4B70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001661EC96B20, 255 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) : {3835166} normal block at 0x000001661EC9F9F0, 8 bytes long.
 Data: <  &#195; f   > 00 00 C3 1E 66 01 00 00 
{3834567} normal block at 0x000001661EC95FE0, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001661ECA08A0, 8 bytes long.
 Data: <&#176;&#227;  f   > B0 E3 80 20 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001661EC96DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001661EC97470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001661ECA5C10, 16 bytes long.
 Data: <&#200;g&#202; f           > C8 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001661ECA6340, 16 bytes long.
 Data: <&#160;g&#202; f           > A0 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001661ECA0BF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001661ECA61B0, 16 bytes long.
 Data: <xg&#202; f           > 78 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001661ECA5850, 16 bytes long.
 Data: <Pg&#202; f           > 50 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001661ECA5B70, 16 bytes long.
 Data: <(g&#202; f           > 28 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001661ECA5E90, 16 bytes long.
 Data: < g&#202; f           > 00 67 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001661ECA4B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001661ECA55D0, 16 bytes long.
 Data: < &#248;&#201; f           > 98 F8 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001661ECA1490, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001661ECA5D00, 16 bytes long.
 Data: <p&#248;&#201; f           > 70 F8 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001661ECA6020, 16 bytes long.
 Data: <H&#248;&#201; f           > 48 F8 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001661ECA5CB0, 16 bytes long.
 Data: < &#248;&#201; f           > 20 F8 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001661ECA5800, 16 bytes long.
 Data: <&#248;&#247;&#201; f           > F8 F7 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001661ECA56C0, 16 bytes long.
 Data: <&#208;&#247;&#201; f           > D0 F7 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001661ECA5B20, 16 bytes long.
 Data: <&#168;&#247;&#201; f           > A8 F7 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001661ECA13D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001661ECA60C0, 16 bytes long.
 Data: < &#247;&#201; f           > 80 F7 C9 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001661EC9F780, 320 bytes long.
 Data: <&#192;`&#202; f   &#208; &#202; f   > C0 60 CA 1E 66 01 00 00 D0 13 CA 1E 66 01 00 00 
{277} normal block at 0x000001661ECA5AD0, 16 bytes long.
 Data: <&#224;f&#202; f           > E0 66 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001661ECA5A30, 16 bytes long.
 Data: <&#184;f&#202; f           > B8 66 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001661ECA0A10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001661ECA5580, 16 bytes long.
 Data: < f&#202; f           > 90 66 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001661ECA0D10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001661ECA5A80, 16 bytes long.
 Data: <&#216;e&#202; f           > D8 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001661ECA58F0, 16 bytes long.
 Data: <&#176;e&#202; f           > B0 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001661ECA59E0, 16 bytes long.
 Data: < e&#202; f           > 88 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001661ECA62F0, 16 bytes long.
 Data: <`e&#202; f           > 60 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001661ECA62A0, 16 bytes long.
 Data: <8e&#202; f           > 38 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001661ECA5530, 16 bytes long.
 Data: < e&#202; f           > 10 65 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001661ECA5D50, 16 bytes long.
 Data: < N&#202; f           > 80 4E CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001661ECA4E80, 40 bytes long.
 Data: <P]&#202; f   pK  f   > 50 5D CA 1E 66 01 00 00 70 4B 8F 20 66 01 00 00 
{263} normal block at 0x000001661ECA5990, 16 bytes long.
 Data: <&#240;d&#202; f           > F0 64 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001661ECA58A0, 16 bytes long.
 Data: <&#200;d&#202; f           > C8 64 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001661ECA09B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001661ECA54E0, 16 bytes long.
 Data: <&#160;d&#202; f           > A0 64 CA 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001661ECA64A0, 992 bytes long.
 Data: <&#224;T&#202; f   &#176;	&#202; f   > E0 54 CA 1E 66 01 00 00 B0 09 CA 1E 66 01 00 00 
{95} normal block at 0x000001661ECA11F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001661ECA0300, 16 bytes long.
 Data: <0&#215;&#200; f           > 30 D7 C8 1E 66 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001661EC8D730, 40 bytes long.
 Data: <  &#202; f   &#240; &#202; f   > 00 03 CA 1E 66 01 00 00 F0 11 CA 1E 66 01 00 00 
{72} normal block at 0x000001661ECA0620, 16 bytes long.
 Data: < &#234;&#195;&#151;&#246;           > 80 EA C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001661EC9FBD0, 16 bytes long.
 Data: <@&#233;&#195;&#151;&#246;           > 40 E9 C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001661EC9FB30, 16 bytes long.
 Data: <&#248;W&#192;&#151;&#246;           > F8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001661EC9F9A0, 16 bytes long.
 Data: <&#216;W&#192;&#151;&#246;           > D8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001661ECA03A0, 16 bytes long.
 Data: <P &#192;&#151;&#246;           > 50 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001661ECA05D0, 16 bytes long.
 Data: <0 &#192;&#151;&#246;           > 30 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001661EC9FF90, 16 bytes long.
 Data: <&#224; &#192;&#151;&#246;           > E0 02 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001661ECA00D0, 16 bytes long.
 Data: <  &#192;&#151;&#246;           > 10 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001661ECA0260, 16 bytes long.
 Data: <p &#192;&#151;&#246;           > 70 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001661ECA07B0, 16 bytes long.
 Data: < &#192;&#190;&#151;&#246;           > 18 C0 BE 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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