Task 38686379

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1884_0
Workunit 31627813
Created 28 Oct 2026, 2:12:27 UTC
Sent 28 Oct 2026, 2:12:31 UTC
Report deadline 2 Nov 2026, 2:12:31 UTC
Received 28 Oct 2026, 3:17:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 19 min 54 sec
CPU time 16 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.43 MB
Peak swap size 8.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:57:28 (39804): wrapper (7.9.26016): starting
03:57:28 (39804): 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
03:57:29 (39804): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:57:29 (39804): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
04:16:49 (39804): C:/Windows/system32/cmd.exe exited; CPU time 1005.281250
04:16:49 (39804): 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: 20715771 bytes.
Dumping objects ->
{3835289} normal block at 0x0000020605F1D030, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x0000020605F1D6C0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x00000206040F54B0, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x00000206040F4FE0, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x00000206040F5440, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x0000020605F69260, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x0000020605F7EEA0, 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) : {3835200} normal block at 0x00000206040EDF10, 8 bytes long.
 Data: <  d     > 00 00 64 04 06 02 00 00 
{3834573} normal block at 0x0000020605F7F0B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000206040EE410, 8 bytes long.
 Data: <PG&#252;     > 50 47 FC 05 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000206040F1D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000206040E6410, 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 0x00000206040F64B0, 16 bytes long.
 Data: <&#168;l              > A8 6C 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000206040F6230, 16 bytes long.
 Data: < l              > 80 6C 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206040EFCA0, 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 0x00000206040F6640, 16 bytes long.
 Data: <Xl              > 58 6C 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206040F59C0, 16 bytes long.
 Data: <0l              > 30 6C 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206040F6410, 16 bytes long.
 Data: < l              > 08 6C 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206040F5DD0, 16 bytes long.
 Data: <&#224;k              > E0 6B 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206040F52F0, 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 0x00000206040F6820, 16 bytes long.
 Data: <&#184;&#147;              > B8 93 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206040EFAC0, 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 0x00000206040F60F0, 16 bytes long.
 Data: < &#147;              > 90 93 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206040F5F10, 16 bytes long.
 Data: <h&#147;              > 68 93 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206040F5D80, 16 bytes long.
 Data: <@&#147;              > 40 93 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000206040F5E70, 16 bytes long.
 Data: < &#147;              > 18 93 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206040F6320, 16 bytes long.
 Data: <&#240;&#146;              > F0 92 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206040F6050, 16 bytes long.
 Data: <&#200;&#146;              > C8 92 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206040EF760, 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 0x00000206040F5BA0, 16 bytes long.
 Data: <&#160;&#146;              > A0 92 0E 04 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206040E92A0, 320 bytes long.
 Data: <&#160;[      `&#247;      > A0 5B 0F 04 06 02 00 00 60 F7 0E 04 06 02 00 00 
{278} normal block at 0x00000206040F6190, 16 bytes long.
 Data: <&#192;k              > C0 6B 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206040F6910, 16 bytes long.
 Data: < k              > 98 6B 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206040EF580, 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 0x00000206040F6550, 16 bytes long.
 Data: <pk              > 70 6B 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206040EFA00, 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 0x00000206040F5E20, 16 bytes long.
 Data: <&#184;j              > B8 6A 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206040F63C0, 16 bytes long.
 Data: < j              > 90 6A 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206040F5D30, 16 bytes long.
 Data: <hj              > 68 6A 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206040F6870, 16 bytes long.
 Data: <@j              > 40 6A 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206040F5CE0, 16 bytes long.
 Data: < j              > 18 6A 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206040F6000, 16 bytes long.
 Data: <&#240;i              > F0 69 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206040F5EC0, 16 bytes long.
 Data: <&#192;P              > C0 50 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206040F50C0, 40 bytes long.
 Data: <&#192;^      `&#146;&#246;     > C0 5E 0F 04 06 02 00 00 60 92 F6 05 06 02 00 00 
{264} normal block at 0x00000206040F5FB0, 16 bytes long.
 Data: <&#208;i              > D0 69 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206040F61E0, 16 bytes long.
 Data: <&#168;i              > A8 69 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206040EF280, 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 0x00000206040F5BF0, 16 bytes long.
 Data: < i              > 80 69 0F 04 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206040F6980, 992 bytes long.
 Data: <&#240;[       &#242;      > F0 5B 0F 04 06 02 00 00 80 F2 0E 04 06 02 00 00 
{96} normal block at 0x00000206040F0060, 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 0x00000206040EDA60, 16 bytes long.
 Data: < &#231;              > 80 E7 0D 04 06 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000206040DE780, 40 bytes long.
 Data: <`&#218;      `       > 60 DA 0E 04 06 02 00 00 60 00 0F 04 06 02 00 00 
{73} normal block at 0x00000206040EDAB0, 16 bytes long.
 Data: < &#234;&#245;7&#246;           > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000206040EDDD0, 16 bytes long.
 Data: <@&#233;&#245;7&#246;           > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000206040EDD30, 16 bytes long.
 Data: <&#248;W&#242;7&#246;           > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000206040ED9C0, 16 bytes long.
 Data: <&#216;W&#242;7&#246;           > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206040ED600, 16 bytes long.
 Data: <P &#242;7&#246;           > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206040EE140, 16 bytes long.
 Data: <0 &#242;7&#246;           > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206040EE0F0, 16 bytes long.
 Data: <&#224; &#242;7&#246;           > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206040EE000, 16 bytes long.
 Data: <  &#242;7&#246;           > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206040EDFB0, 16 bytes long.
 Data: <p &#242;7&#246;           > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206040ED970, 16 bytes long.
 Data: < &#192;&#240;7&#246;           > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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