Task 38676570

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7289_0
Workunit 31618474
Created 26 Oct 2026, 11:42:43 UTC
Sent 26 Oct 2026, 11:42:48 UTC
Report deadline 31 Oct 2026, 11:42:48 UTC
Received 26 Oct 2026, 13:54:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 57 sec
CPU time 32 min 15 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 741.16 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:21:10 (27624): wrapper (7.9.26016): starting
08:21:10 (27624): 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
08:21:11 (27624): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:21:11 (27624): 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
08:53:37 (27624): C:/Windows/system32/cmd.exe exited; CPU time 1935.796875
08:53:37 (27624): 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: 30194963 bytes.
Dumping objects ->
{3835546} normal block at 0x000001E93E417F20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001E93C714800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001E93C714640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001E93C7146B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001E93C7148E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001E93E426380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001E93E43E880, 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) : {3835457} normal block at 0x000001E93C70EE00, 8 bytes long.
 Data: <  &#190;<&#233;   > 00 00 BE 3C E9 01 00 00 
{3834682} normal block at 0x000001E93E43E3B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001E93C70F350, 8 bytes long.
 Data: < FH>&#233;   > 10 46 48 3E E9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E93C710CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E93C7067F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E93C715BD0, 16 bytes long.
 Data: <xcq<&#233;           > 78 63 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E93C715A40, 16 bytes long.
 Data: <Pcq<&#233;           > 50 63 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E93C70FB50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E93C715AE0, 16 bytes long.
 Data: <(cq<&#233;           > 28 63 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E93C715F40, 16 bytes long.
 Data: < cq<&#233;           > 00 63 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E93C715E50, 16 bytes long.
 Data: <&#216;bq<&#233;           > D8 62 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E93C7155E0, 16 bytes long.
 Data: <&#176;bq<&#233;           > B0 62 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E93C7149C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E93C715360, 16 bytes long.
 Data: <( p<&#233;           > 28 8F 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E93C70FDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E93C715900, 16 bytes long.
 Data: <  p<&#233;           > 00 8F 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E93C715090, 16 bytes long.
 Data: <&#216;&#142;p<&#233;           > D8 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E93C715CC0, 16 bytes long.
 Data: <&#176;&#142;p<&#233;           > B0 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E93C715A90, 16 bytes long.
 Data: < &#142;p<&#233;           > 88 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E93C715540, 16 bytes long.
 Data: <`&#142;p<&#233;           > 60 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E93C7150E0, 16 bytes long.
 Data: <8&#142;p<&#233;           > 38 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E93C7101B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E93C715450, 16 bytes long.
 Data: < &#142;p<&#233;           > 10 8E 70 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E93C708E10, 320 bytes long.
 Data: <PTq<&#233;   &#176; q<&#233;   > 50 54 71 3C E9 01 00 00 B0 01 71 3C E9 01 00 00 
{274} normal block at 0x000001E93C715400, 16 bytes long.
 Data: < bq<&#233;           > 90 62 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E93C715720, 16 bytes long.
 Data: <hbq<&#233;           > 68 62 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E93C70FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E93C7153B0, 16 bytes long.
 Data: <@bq<&#233;           > 40 62 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E93C70F8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E93C715770, 16 bytes long.
 Data: < aq<&#233;           > 88 61 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E93C7156D0, 16 bytes long.
 Data: <`aq<&#233;           > 60 61 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E93C715630, 16 bytes long.
 Data: <8aq<&#233;           > 38 61 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E93C715270, 16 bytes long.
 Data: < aq<&#233;           > 10 61 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E93C7154F0, 16 bytes long.
 Data: <&#232;`q<&#233;           > E8 60 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E93C7158B0, 16 bytes long.
 Data: <&#192;`q<&#233;           > C0 60 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E93C715DB0, 16 bytes long.
 Data: < Gq<&#233;           > 90 47 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E93C714790, 40 bytes long.
 Data: <&#176;]q<&#233;    cB>&#233;   > B0 5D 71 3C E9 01 00 00 80 63 42 3E E9 01 00 00 
{260} normal block at 0x000001E93C7159A0, 16 bytes long.
 Data: <&#160;`q<&#233;           > A0 60 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E93C715950, 16 bytes long.
 Data: <x`q<&#233;           > 78 60 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E93C70F610, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E93C715860, 16 bytes long.
 Data: <P`q<&#233;           > 50 60 71 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E93C716050, 992 bytes long.
 Data: <`Xq<&#233;    &#246;p<&#233;   > 60 58 71 3C E9 01 00 00 10 F6 70 3C E9 01 00 00 
{92} normal block at 0x000001E93C70FC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E93C70EF40, 16 bytes long.
 Data: < &#193;o<&#233;           > 80 C1 6F 3C E9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E93C6FC180, 40 bytes long.
 Data: <@&#239;p<&#233;   p&#252;p<&#233;   > 40 EF 70 3C E9 01 00 00 70 FC 70 3C E9 01 00 00 
{69} normal block at 0x000001E93C70EA40, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E93C70EA90, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E93C70EEF0, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E93C70F2B0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E93C70EEA0, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E93C70E950, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E93C70F300, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E93C70E5E0, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E93C70EE50, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E93C70E590, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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