Task 38686152

Name test_223-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9073_0
Workunit 31627592
Created 28 Oct 2026, 0:57:22 UTC
Sent 28 Oct 2026, 0:57:22 UTC
Report deadline 2 Nov 2026, 0:57:22 UTC
Received 28 Oct 2026, 1:52:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 51 min 55 sec
CPU time 48 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.77 MB
Peak swap size 3.83 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:59:07 (11616): wrapper (7.9.26016): starting
19:59:07 (11616): 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
19:59:09 (11616): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:59:09 (11616): 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\6\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\6\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
20:49:49 (11616): C:/Windows/system32/cmd.exe exited; CPU time 2919.343750
20:49:49 (11616): 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: 40828943 bytes.
Dumping objects ->
{3835276} normal block at 0x000001546DAA45E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001546DAA4A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001546DAA49D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001546DAA4570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001546DAA46C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001546F837D60, 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) : {3835188} normal block at 0x000001546DAA00D0, 8 bytes long.
 Data: <  &#247;mT   > 00 00 F7 6D 54 01 00 00 
{3833957} normal block at 0x000001546DA9F680, 8 bytes long.
 Data: <&#208;H&#140;oT   > D0 48 8C 6F 54 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001546DAA0640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001546DA95DE0, 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 0x000001546DAA5740, 16 bytes long.
 Data: <&#184;T&#170;mT           > B8 54 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001546DAA56A0, 16 bytes long.
 Data: < T&#170;mT           > 90 54 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001546DA9E5A0, 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 0x000001546DAA5D30, 16 bytes long.
 Data: <hT&#170;mT           > 68 54 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001546DAA63C0, 16 bytes long.
 Data: <@T&#170;mT           > 40 54 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001546DAA5CE0, 16 bytes long.
 Data: < T&#170;mT           > 18 54 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001546DAA5A10, 16 bytes long.
 Data: <&#240;S&#170;mT           > F0 53 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001546DAA47A0, 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 0x000001546DAA5F10, 16 bytes long.
 Data: <&#168;&#142;&#169;mT           > A8 8E A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001546DA9F3E0, 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 0x000001546DAA5790, 16 bytes long.
 Data: < &#142;&#169;mT           > 80 8E A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001546DAA5BA0, 16 bytes long.
 Data: <X&#142;&#169;mT           > 58 8E A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001546DAA6280, 16 bytes long.
 Data: <0&#142;&#169;mT           > 30 8E A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001546DAA5920, 16 bytes long.
 Data: < &#142;&#169;mT           > 08 8E A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001546DAA5F60, 16 bytes long.
 Data: <&#224; &#169;mT           > E0 8D A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001546DAA6050, 16 bytes long.
 Data: <&#184; &#169;mT           > B8 8D A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001546DA9E720, 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 0x000001546DAA6410, 16 bytes long.
 Data: <  &#169;mT           > 90 8D A9 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001546DA98D90, 320 bytes long.
 Data: < d&#170;mT    &#231;&#169;mT   > 10 64 AA 6D 54 01 00 00 20 E7 A9 6D 54 01 00 00 
{274} normal block at 0x000001546DAA5E70, 16 bytes long.
 Data: <&#208;S&#170;mT           > D0 53 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001546DAA6370, 16 bytes long.
 Data: <&#168;S&#170;mT           > A8 53 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001546DA9E6C0, 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 0x000001546DAA6550, 16 bytes long.
 Data: < S&#170;mT           > 80 53 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001546DA9F020, 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 0x000001546DAA5FB0, 16 bytes long.
 Data: <&#200;R&#170;mT           > C8 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001546DAA6320, 16 bytes long.
 Data: <&#160;R&#170;mT           > A0 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001546DAA6190, 16 bytes long.
 Data: <xR&#170;mT           > 78 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001546DAA62D0, 16 bytes long.
 Data: <PR&#170;mT           > 50 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001546DA9FF40, 16 bytes long.
 Data: <(R&#170;mT           > 28 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001546DA9FDB0, 16 bytes long.
 Data: < R&#170;mT           > 00 52 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001546DA9F7C0, 16 bytes long.
 Data: < D&#170;mT           > 90 44 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001546DAA4490, 40 bytes long.
 Data: <&#192;&#247;&#169;mT   `}&#131;oT   > C0 F7 A9 6D 54 01 00 00 60 7D 83 6F 54 01 00 00 
{260} normal block at 0x000001546DA9FCC0, 16 bytes long.
 Data: <&#224;Q&#170;mT           > E0 51 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001546DAA02B0, 16 bytes long.
 Data: <&#184;Q&#170;mT           > B8 51 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001546DA9E840, 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 0x000001546DA9FC20, 16 bytes long.
 Data: < Q&#170;mT           > 90 51 AA 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001546DAA5190, 992 bytes long.
 Data: < &#252;&#169;mT   @&#232;&#169;mT   > 20 FC A9 6D 54 01 00 00 40 E8 A9 6D 54 01 00 00 
{92} normal block at 0x000001546DA9EA20, 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 0x000001546DAA0030, 16 bytes long.
 Data: <&#240;&#238;&#168;mT           > F0 EE A8 6D 54 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001546DA8EEF0, 40 bytes long.
 Data: <0 &#170;mT    &#234;&#169;mT   > 30 00 AA 6D 54 01 00 00 20 EA A9 6D 54 01 00 00 
{69} normal block at 0x000001546DA9F630, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001546DA9FD60, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001546DA9FB30, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001546DAA0170, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001546DA9F8B0, 16 bytes long.
 Data: <P  z&#246;           > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001546DA9F950, 16 bytes long.
 Data: <0  z&#246;           > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001546DA9FE50, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001546DA9FF90, 16 bytes long.
 Data: <   z&#246;           > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001546DAA0210, 16 bytes long.
 Data: <p  z&#246;           > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001546DA9FFE0, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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