Task 38673212

Name test_785-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7546_0
Workunit 31615308
Created 26 Oct 2026, 1:51:05 UTC
Sent 26 Oct 2026, 1:51:11 UTC
Report deadline 31 Oct 2026, 1:51:11 UTC
Received 26 Oct 2026, 3:35:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642945
Run time 43 min 55 sec
CPU time 40 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.96 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:51:40 (22452): wrapper (7.9.26016): starting
11:51:40 (22452): 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
11:51:41 (22452): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:51:41 (22452): 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\9\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\9\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
12:34:17 (22452): C:/Windows/system32/cmd.exe exited; CPU time 2444.656250
12:34:17 (22452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 64063849 bytes.
Dumping objects ->
{3835363} normal block at 0x0000022494FE9A60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x0000022494FE9520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x0000022494FE9980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x0000022494FE9830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x0000022494FE9590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x0000022496F37760, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835275} normal block at 0x0000022494FBDCF0, 8 bytes long.
 Data: <    $   > 00 00 F8 94 24 02 00 00 
{3834073} normal block at 0x0000022494FBE7E0, 8 bytes long.
 Data: < &#221;  $   > A0 DD FA 94 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022494FC25C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022494FB7380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000022494FC6960, 16 bytes long.
 Data: < r  $           > E8 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022494FC6B90, 16 bytes long.
 Data: <&#192;r  $           > C0 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022494FBFC90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000022494FC6E60, 16 bytes long.
 Data: < r  $           > 98 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022494FC6D70, 16 bytes long.
 Data: <pr  $           > 70 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022494FC6A00, 16 bytes long.
 Data: <Hr  $           > 48 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022494FC6D20, 16 bytes long.
 Data: < r  $           > 20 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022494FC44A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000022494FC6500, 16 bytes long.
 Data: <x   $           > 78 98 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022494FC0290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000022494FC6AF0, 16 bytes long.
 Data: <P   $           > 50 98 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022494FC6690, 16 bytes long.
 Data: <(   $           > 28 98 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022494FC6F00, 16 bytes long.
 Data: <    $           > 00 98 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022494FC6140, 16 bytes long.
 Data: <&#216;   $           > D8 97 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022494FC6CD0, 16 bytes long.
 Data: <&#176;   $           > B0 97 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022494FC6280, 16 bytes long.
 Data: <    $           > 88 97 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022494FC0530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000022494FC6780, 16 bytes long.
 Data: <`   $           > 60 97 FB 94 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022494FB9760, 320 bytes long.
 Data: < g  $   0   $   > 80 67 FC 94 24 02 00 00 30 05 FC 94 24 02 00 00 
{280} normal block at 0x0000022494FC6730, 16 bytes long.
 Data: < r  $           > 00 72 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022494FC67D0, 16 bytes long.
 Data: <&#216;q  $           > D8 71 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022494FC0230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000022494FC60F0, 16 bytes long.
 Data: <&#176;q  $           > B0 71 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022494FBF930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000022494FC63C0, 16 bytes long.
 Data: < p  $           > F8 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022494FC66E0, 16 bytes long.
 Data: <&#208;p  $           > D0 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022494FC64B0, 16 bytes long.
 Data: <&#168;p  $           > A8 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022494FC6640, 16 bytes long.
 Data: < p  $           > 80 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022494FC60A0, 16 bytes long.
 Data: <Xp  $           > 58 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022494FC6AA0, 16 bytes long.
 Data: <0p  $           > 30 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022494FC6E10, 16 bytes long.
 Data: <0D  $           > 30 44 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022494FC4430, 40 bytes long.
 Data: < n  $   `w  $   > 10 6E FC 94 24 02 00 00 60 77 F3 96 24 02 00 00 
{266} normal block at 0x0000022494FC6460, 16 bytes long.
 Data: < p  $           > 10 70 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022494FC6C80, 16 bytes long.
 Data: < o  $           > E8 6F FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022494FBFDB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000022494FC6B40, 16 bytes long.
 Data: <&#192;o  $           > C0 6F FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022494FC6FC0, 992 bytes long.
 Data: <@k  $   &#176;   $   > 40 6B FC 94 24 02 00 00 B0 FD FB 94 24 02 00 00 
{98} normal block at 0x0000022494FC0470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000022494FBDA20, 16 bytes long.
 Data: < E  $           > F0 45 FC 94 24 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022494FC45F0, 40 bytes long.
 Data: < &#218;  $   p   $   > 20 DA FB 94 24 02 00 00 70 04 FC 94 24 02 00 00 
{73} normal block at 0x0000022494FBE790, 16 bytes long.
 Data: <  _             > 80 EA 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022494FBE830, 16 bytes long.
 Data: <@ _             > 40 E9 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022494FBE5B0, 16 bytes long.
 Data: < W\             > F8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022494FBDB60, 16 bytes long.
 Data: <&#216;W\             > D8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022494FBE740, 16 bytes long.
 Data: <P \             > 50 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022494FBDFC0, 16 bytes long.
 Data: <0 \             > 30 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022494FBE010, 16 bytes long.
 Data: <  \             > E0 02 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022494FBE0B0, 16 bytes long.
 Data: <  \             > 10 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022494FBE380, 16 bytes long.
 Data: <p \             > 70 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022494FBD9D0, 16 bytes long.
 Data: < &#192;Z             > 18 C0 5A 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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