Task 38698008

Name test_899-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5593_0
Workunit 31638543
Created 2 Nov 2026, 1:45:26 UTC
Sent 2 Nov 2026, 1:45:33 UTC
Report deadline 7 Nov 2026, 1:45:33 UTC
Received 2 Nov 2026, 2:14:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640525
Run time 25 min 24 sec
CPU time 23 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,679.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.13 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:49:03 (11108): wrapper (7.9.26016): starting
20:49:03 (11108): 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
20:49:04 (11108): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:49:04 (11108): 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\1\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\1\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
21:14:18 (11108): C:/Windows/system32/cmd.exe exited; CPU time 1413.515625
21:14:18 (11108): 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: 29648085 bytes.
Dumping objects ->
{3835238} normal block at 0x00000249F123D840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000249F123CF10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000249F123CEA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835205} normal block at 0x00000249EF385470, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000249EF385400, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835163} normal block at 0x00000249F12882B0, 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) : {3835150} normal block at 0x00000249EF380040, 8 bytes long.
 Data: <  &#139;&#239;I   > 00 00 8B EF 49 02 00 00 
{3833957} normal block at 0x00000249EF3804F0, 8 bytes long.
 Data: < F8&#239;I   > 00 46 38 EF 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000249EF37DF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000249EF376640, 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 0x00000249EF3868E0, 16 bytes long.
 Data: <X\8&#239;I           > 58 5C 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000249EF385E40, 16 bytes long.
 Data: <0\8&#239;I           > 30 5C 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000249EF37FBE0, 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 0x00000249EF386980, 16 bytes long.
 Data: < \8&#239;I           > 08 5C 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000249EF3869D0, 16 bytes long.
 Data: <&#224;[8&#239;I           > E0 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000249EF386C50, 16 bytes long.
 Data: <&#184;[8&#239;I           > B8 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000249EF386B10, 16 bytes long.
 Data: < [8&#239;I           > 90 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000249EF3852B0, 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 0x00000249EF3865C0, 16 bytes long.
 Data: <8&#148;7&#239;I           > 38 94 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000249EF37FA60, 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 0x00000249EF386480, 16 bytes long.
 Data: < &#148;7&#239;I           > 10 94 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000249EF386890, 16 bytes long.
 Data: <&#232;&#147;7&#239;I           > E8 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000249EF385FD0, 16 bytes long.
 Data: <&#192;&#147;7&#239;I           > C0 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000249EF385DA0, 16 bytes long.
 Data: < &#147;7&#239;I           > 98 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000249EF386340, 16 bytes long.
 Data: <p&#147;7&#239;I           > 70 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000249EF386750, 16 bytes long.
 Data: <H&#147;7&#239;I           > 48 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000249EF37F880, 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 0x00000249EF386700, 16 bytes long.
 Data: < &#147;7&#239;I           > 20 93 37 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000249EF379320, 320 bytes long.
 Data: < g8&#239;I    &#248;7&#239;I   > 00 67 38 EF 49 02 00 00 80 F8 37 EF 49 02 00 00 
{274} normal block at 0x00000249EF386390, 16 bytes long.
 Data: <p[8&#239;I           > 70 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000249EF386CF0, 16 bytes long.
 Data: <H[8&#239;I           > 48 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000249EF37FA00, 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 0x00000249EF385F30, 16 bytes long.
 Data: < [8&#239;I           > 20 5B 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000249EF37F7C0, 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 0x00000249EF3867F0, 16 bytes long.
 Data: <hZ8&#239;I           > 68 5A 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000249EF386AC0, 16 bytes long.
 Data: <@Z8&#239;I           > 40 5A 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000249EF386930, 16 bytes long.
 Data: < Z8&#239;I           > 18 5A 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000249EF385F80, 16 bytes long.
 Data: <&#240;Y8&#239;I           > F0 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000249EF380C20, 16 bytes long.
 Data: <&#200;Y8&#239;I           > C8 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000249EF380C70, 16 bytes long.
 Data: <&#160;Y8&#239;I           > A0 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000249EF380A90, 16 bytes long.
 Data: < S8&#239;I           > 90 53 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000249EF385390, 40 bytes long.
 Data: <  8&#239;I   &#176;&#130;(&#241;I   > 90 0A 38 EF 49 02 00 00 B0 82 28 F1 49 02 00 00 
{260} normal block at 0x00000249EF380720, 16 bytes long.
 Data: < Y8&#239;I           > 80 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000249EF380450, 16 bytes long.
 Data: <XY8&#239;I           > 58 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000249EF37F9A0, 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 0x00000249EF3806D0, 16 bytes long.
 Data: <0Y8&#239;I           > 30 59 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000249EF385930, 992 bytes long.
 Data: <&#208; 8&#239;I   &#160;&#249;7&#239;I   > D0 06 38 EF 49 02 00 00 A0 F9 37 EF 49 02 00 00 
{92} normal block at 0x00000249EF37F580, 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 0x00000249EF380770, 16 bytes long.
 Data: < P8&#239;I           > 10 50 38 EF 49 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000249EF385010, 40 bytes long.
 Data: <p 8&#239;I    &#245;7&#239;I   > 70 07 38 EF 49 02 00 00 80 F5 37 EF 49 02 00 00 
{69} normal block at 0x00000249EF380130, 16 bytes long.
 Data: < &#234;t&#201;&#246;           > 80 EA 74 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000249EF380090, 16 bytes long.
 Data: <@&#233;t&#201;&#246;           > 40 E9 74 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000249EF3804A0, 16 bytes long.
 Data: <&#248;Wq&#201;&#246;           > F8 57 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000249EF3803B0, 16 bytes long.
 Data: <&#216;Wq&#201;&#246;           > D8 57 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000249EF37FF50, 16 bytes long.
 Data: <P q&#201;&#246;           > 50 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000249EF380900, 16 bytes long.
 Data: <0 q&#201;&#246;           > 30 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000249EF37FFF0, 16 bytes long.
 Data: <&#224; q&#201;&#246;           > E0 02 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000249EF37FEB0, 16 bytes long.
 Data: <  q&#201;&#246;           > 10 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000249EF380590, 16 bytes long.
 Data: <p q&#201;&#246;           > 70 04 71 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000249EF3808B0, 16 bytes long.
 Data: < &#192;o&#201;&#246;           > 18 C0 6F C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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