Task 38685056

Name test_925-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9753_0
Workunit 31626544
Created 27 Oct 2026, 19:09:49 UTC
Sent 27 Oct 2026, 19:09:51 UTC
Report deadline 1 Nov 2026, 19:09:51 UTC
Received 27 Oct 2026, 20:10:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 1 hours 0 min 10 sec
CPU time 1 hours 3 min 25 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 709.22 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
20:11:05 (16504): wrapper (7.9.26016): starting
20:11:05 (16504): 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
20:11:07 (16504): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:11:07 (16504): 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\96\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\96\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
21:09:34 (16504): C:/Windows/system32/cmd.exe exited; CPU time 3805.734375
21:09:34 (16504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 65227521 bytes.
Dumping objects ->
{3835226} normal block at 0x000002B3D87AA050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002B3D87AA440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002B3D87AA210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002B3D87AABB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002B3D87AAF30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002B3DA50AAE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002B3D87DFBE0, 140 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) : {3835137} normal block at 0x000002B3D87845D0, 8 bytes long.
 Data: <  g&#216;&#179;   > 00 00 67 D8 B3 02 00 00 
{3834534} normal block at 0x000002B3D87DF7D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002B3D8784D50, 8 bytes long.
 Data: <&#160; R&#218;&#179;   > A0 0F 52 DA B3 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B3D876E5C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B3D8775FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002B3D8784170, 16 bytes long.
 Data: < ~x&#216;&#179;           > 88 7E 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B3D87844E0, 16 bytes long.
 Data: <`~x&#216;&#179;           > 60 7E 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B3D877A930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002B3D8784A80, 16 bytes long.
 Data: <8~x&#216;&#179;           > 38 7E 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B3D87849E0, 16 bytes long.
 Data: < ~x&#216;&#179;           > 10 7E 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B3D8784990, 16 bytes long.
 Data: <&#232;}x&#216;&#179;           > E8 7D 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B3D8784C10, 16 bytes long.
 Data: <&#192;}x&#216;&#179;           > C0 7D 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B3D8782520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002B3D87848F0, 16 bytes long.
 Data: <&#248;&#214;v&#216;&#179;           > F8 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B3D877AC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002B3D8784440, 16 bytes long.
 Data: <&#208;&#214;v&#216;&#179;           > D0 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B3D8784E90, 16 bytes long.
 Data: <&#168;&#214;v&#216;&#179;           > A8 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B3D8784E40, 16 bytes long.
 Data: < &#214;v&#216;&#179;           > 80 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B3D87847B0, 16 bytes long.
 Data: <X&#214;v&#216;&#179;           > 58 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B3D8784940, 16 bytes long.
 Data: <0&#214;v&#216;&#179;           > 30 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B3D8784EE0, 16 bytes long.
 Data: < &#214;v&#216;&#179;           > 08 D6 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B3D877AC30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002B3D8784F30, 16 bytes long.
 Data: <&#224;&#213;v&#216;&#179;           > E0 D5 76 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B3D876D5E0, 320 bytes long.
 Data: <0Ox&#216;&#179;   0&#172;w&#216;&#179;   > 30 4F 78 D8 B3 02 00 00 30 AC 77 D8 B3 02 00 00 
{270} normal block at 0x000002B3D8784BC0, 16 bytes long.
 Data: <&#160;}x&#216;&#179;           > A0 7D 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B3D8784A30, 16 bytes long.
 Data: <x}x&#216;&#179;           > 78 7D 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B3D8779DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002B3D8784B70, 16 bytes long.
 Data: <P}x&#216;&#179;           > 50 7D 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B3D877AB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002B3D87846C0, 16 bytes long.
 Data: < |x&#216;&#179;           > 98 7C 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B3D8784350, 16 bytes long.
 Data: <p|x&#216;&#179;           > 70 7C 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B3D8784300, 16 bytes long.
 Data: <H|x&#216;&#179;           > 48 7C 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B3D8784580, 16 bytes long.
 Data: < |x&#216;&#179;           > 20 7C 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B3D87842B0, 16 bytes long.
 Data: <&#248;{x&#216;&#179;           > F8 7B 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B3D8784260, 16 bytes long.
 Data: <&#208;{x&#216;&#179;           > D0 7B 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B3D8784210, 16 bytes long.
 Data: < )x&#216;&#179;           > 10 29 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B3D8782910, 40 bytes long.
 Data: < Bx&#216;&#179;   &#224;&#170;P&#218;&#179;   > 10 42 78 D8 B3 02 00 00 E0 AA 50 DA B3 02 00 00 
{256} normal block at 0x000002B3D8785070, 16 bytes long.
 Data: <&#176;{x&#216;&#179;           > B0 7B 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B3D8784F80, 16 bytes long.
 Data: < {x&#216;&#179;           > 88 7B 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B3D877A6F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002B3D87848A0, 16 bytes long.
 Data: <`{x&#216;&#179;           > 60 7B 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B3D8787B60, 992 bytes long.
 Data: <&#160;Hx&#216;&#179;   &#240;&#166;w&#216;&#179;   > A0 48 78 D8 B3 02 00 00 F0 A6 77 D8 B3 02 00 00 
{88} normal block at 0x000002B3D877A3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002B3D8784800, 16 bytes long.
 Data: <&#176;$x&#216;&#179;           > B0 24 78 D8 B3 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002B3D87824B0, 40 bytes long.
 Data: < Hx&#216;&#179;   &#240;&#163;w&#216;&#179;   > 00 48 78 D8 B3 02 00 00 F0 A3 77 D8 B3 02 00 00 
{65} normal block at 0x000002B3D8778DC0, 16 bytes long.
 Data: < &#234; &#239;&#247;           > 80 EA 13 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B3D87795E0, 16 bytes long.
 Data: <@&#233; &#239;&#247;           > 40 E9 13 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B3D8779720, 16 bytes long.
 Data: <&#248;W &#239;&#247;           > F8 57 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B3D8779BD0, 16 bytes long.
 Data: <&#216;W &#239;&#247;           > D8 57 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B3D8779680, 16 bytes long.
 Data: <P  &#239;&#247;           > 50 04 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B3D8778D70, 16 bytes long.
 Data: <0  &#239;&#247;           > 30 04 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B3D8779450, 16 bytes long.
 Data: <&#224;  &#239;&#247;           > E0 02 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B3D87793B0, 16 bytes long.
 Data: <   &#239;&#247;           > 10 04 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B3D8779AE0, 16 bytes long.
 Data: <p  &#239;&#247;           > 70 04 10 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B3D8779180, 16 bytes long.
 Data: < &#192; &#239;&#247;           > 18 C0 0E EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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