Task 38697684

Name test_912-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7814_0
Workunit 31638241
Created 1 Nov 2026, 19:39:56 UTC
Sent 1 Nov 2026, 19:39:58 UTC
Report deadline 6 Nov 2026, 19:39:58 UTC
Received 1 Nov 2026, 21:29:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618325
Run time 1 hours 41 min 25 sec
CPU time 1 hours 39 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,718.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.77 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:41:47 (11496): wrapper (7.9.26016): starting
19:41:47 (11496): 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
19:41:48 (11496): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:41:48 (11496): 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
21:29:39 (11496): C:/Windows/system32/cmd.exe exited; CPU time 5957.468750
21:29:39 (11496): 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: 108595887 bytes.
Dumping objects ->
{3835948} normal block at 0x000001F9D6E9DDF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835937} normal block at 0x000001F9D6E9D680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835926} normal block at 0x000001F9D6E9DD80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835915} normal block at 0x000001F9D6E9E020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835904} normal block at 0x000001F9D4F04CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835873} normal block at 0x000001F9D6EE5130, 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) : {3835860} normal block at 0x000001F9D4EFF7A0, 8 bytes long.
 Data: <   &#212;    > 00 00 E5 D4 F9 01 00 00 
{3834065} normal block at 0x000001F9D4EFF110, 8 bytes long.
 Data: <&#176;&#217; &#212;    > B0 D9 EE D4 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F9D4F00D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F9D4EF6380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001F9D4F05D20, 16 bytes long.
 Data: <Xk &#212;            > 58 6B F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F9D4F05B90, 16 bytes long.
 Data: <0k &#212;            > 30 6B F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F9D4F008B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001F9D4F060E0, 16 bytes long.
 Data: < k &#212;            > 08 6B F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F9D4F06310, 16 bytes long.
 Data: < j &#212;            > E0 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F9D4F05870, 16 bytes long.
 Data: <&#184;j &#212;            > B8 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F9D4F067C0, 16 bytes long.
 Data: < j &#212;            > 90 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F9D4F04E90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001F9D4F05960, 16 bytes long.
 Data: <   &#212;            > 98 EA EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F9D4EFFE30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001F9D4F06040, 16 bytes long.
 Data: <p  &#212;            > 70 EA EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F9D4F05AF0, 16 bytes long.
 Data: <H  &#212;            > 48 EA EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9D4F05B40, 16 bytes long.
 Data: <   &#212;            > 20 EA EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F9D4F06720, 16 bytes long.
 Data: <   &#212;            > F8 E9 EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F9D4F05FF0, 16 bytes long.
 Data: <&#208;  &#212;            > D0 E9 EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9D4F05D70, 16 bytes long.
 Data: <&#168;  &#212;            > A8 E9 EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F9D4F00670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001F9D4F05F50, 16 bytes long.
 Data: <   &#212;            > 80 E9 EF D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F9D4EFE980, 320 bytes long.
 Data: <P_ &#212;    p  &#212;    > 50 5F F0 D4 F9 01 00 00 70 06 F0 D4 F9 01 00 00 
{278} normal block at 0x000001F9D4F062C0, 16 bytes long.
 Data: <pj &#212;            > 70 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9D4F05FA0, 16 bytes long.
 Data: <Hj &#212;            > 48 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F9D4F00790, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001F9D4F06770, 16 bytes long.
 Data: < j &#212;            > 20 6A F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F9D4EFFEF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001F9D4F05A50, 16 bytes long.
 Data: <hi &#212;            > 68 69 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F9D4F06270, 16 bytes long.
 Data: <@i &#212;            > 40 69 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F9D4F05AA0, 16 bytes long.
 Data: < i &#212;            > 18 69 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F9D4F066D0, 16 bytes long.
 Data: < h &#212;            > F0 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F9D4F064F0, 16 bytes long.
 Data: <&#200;h &#212;            > C8 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9D4F06680, 16 bytes long.
 Data: < h &#212;            > A0 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F9D4F064A0, 16 bytes long.
 Data: <@M &#212;            > 40 4D F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9D4F04D40, 40 bytes long.
 Data: < d &#212;    0Q &#214;    > A0 64 F0 D4 F9 01 00 00 30 51 EE D6 F9 01 00 00 
{264} normal block at 0x000001F9D4F05F00, 16 bytes long.
 Data: < h &#212;            > 80 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F9D4F06630, 16 bytes long.
 Data: <Xh &#212;            > 58 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9D4F00A90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001F9D4F05A00, 16 bytes long.
 Data: <0h &#212;            > 30 68 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9D4F06830, 992 bytes long.
 Data: < Z &#212;       &#212;    > 00 5A F0 D4 F9 01 00 00 90 0A F0 D4 F9 01 00 00 
{96} normal block at 0x000001F9D4F00AF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001F9D4EFF070, 16 bytes long.
 Data: < Q &#212;            > A0 51 F0 D4 F9 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001F9D4F051A0, 40 bytes long.
 Data: <p  &#212;       &#212;    > 70 F0 EF D4 F9 01 00 00 F0 0A F0 D4 F9 01 00 00 
{71} normal block at 0x000001F9D4EFED00, 16 bytes long.
 Data: <  &#162;}            > 80 EA A2 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F9D4EFF020, 16 bytes long.
 Data: <@ &#162;}            > 40 E9 A2 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F9D4EFF5C0, 16 bytes long.
 Data: < W }            > F8 57 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F9D4EFF610, 16 bytes long.
 Data: <&#216;W }            > D8 57 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F9D4EFFAC0, 16 bytes long.
 Data: <P  }            > 50 04 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9D4EFEE90, 16 bytes long.
 Data: <0  }            > 30 04 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9D4EFF340, 16 bytes long.
 Data: <   }            > E0 02 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9D4EFF2A0, 16 bytes long.
 Data: <   }            > 10 04 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9D4EFFC00, 16 bytes long.
 Data: <p  }            > 70 04 9F 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9D4EFF570, 16 bytes long.
 Data: < &#192; }            > 18 C0 9D 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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