Task 38686052

Name test_589-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2647_0
Workunit 31627501
Created 28 Oct 2026, 0:24:50 UTC
Sent 28 Oct 2026, 0:25:00 UTC
Report deadline 2 Nov 2026, 0:25:00 UTC
Received 28 Oct 2026, 7:43:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 30 min 40 sec
CPU time 30 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.75 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:10:43 (54704): wrapper (7.9.26016): starting
08:10:43 (54704): 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
08:10:44 (54704): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:10:44 (54704): 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\5\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\5\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: Exiting with failure status due to previous errors
08:42:52 (54704): C:/Windows/system32/cmd.exe exited; CPU time 1840.765625
08:42:52 (54704): 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: 36015511 bytes.
Dumping objects ->
{3835277} normal block at 0x000002804AABD460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002804AABD0E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002804AABD3F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002804AABD150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000028048DB4650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002804AB096C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002804AB1EB10, 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) : {3835188} normal block at 0x0000028048DAF2A0, 8 bytes long.
 Data: <   I    > 00 00 1B 49 80 02 00 00 
{3834564} normal block at 0x000002804AB1E2D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000028048DAE9E0, 8 bytes long.
 Data: <&#160;1&#182;J    > A0 31 B6 4A 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028048DB1130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028048DA63A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000028048DB5910, 16 bytes long.
 Data: <&#248;f&#219;H            > F8 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028048DB54B0, 16 bytes long.
 Data: <&#208;f&#219;H            > D0 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028048DB02C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000028048DB5C30, 16 bytes long.
 Data: <&#168;f&#219;H            > A8 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028048DB5460, 16 bytes long.
 Data: < f&#219;H            > 80 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028048DB5D20, 16 bytes long.
 Data: <Xf&#219;H            > 58 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028048DB5690, 16 bytes long.
 Data: <0f&#219;H            > 30 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028048DB4960, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000028048DB5FF0, 16 bytes long.
 Data: <&#232; &#218;H            > E8 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028048DB0440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000028048DB5870, 16 bytes long.
 Data: <&#192; &#218;H            > C0 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028048DB5410, 16 bytes long.
 Data: <  &#218;H            > 98 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028048DB5F00, 16 bytes long.
 Data: <p &#218;H            > 70 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028048DB6360, 16 bytes long.
 Data: <H &#218;H            > 48 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028048DB6310, 16 bytes long.
 Data: <  &#218;H            > 20 8F DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028048DB5BE0, 16 bytes long.
 Data: <&#248;&#142;&#218;H            > F8 8E DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028048DB0560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000028048DB5CD0, 16 bytes long.
 Data: <&#208;&#142;&#218;H            > D0 8E DA 48 80 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028048DA8ED0, 320 bytes long.
 Data: <&#208;\&#219;H    ` &#219;H    > D0 5C DB 48 80 02 00 00 60 05 DB 48 80 02 00 00 
{275} normal block at 0x0000028048DB6220, 16 bytes long.
 Data: < f&#219;H            > 10 66 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028048DB5730, 16 bytes long.
 Data: <&#232;e&#219;H            > E8 65 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028048DAFF00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000028048DB6180, 16 bytes long.
 Data: <&#192;e&#219;H            > C0 65 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028048DAF9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000028048DB61D0, 16 bytes long.
 Data: < e&#219;H            > 08 65 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028048DB5DC0, 16 bytes long.
 Data: <&#224;d&#219;H            > E0 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028048DB6130, 16 bytes long.
 Data: <&#184;d&#219;H            > B8 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028048DB58C0, 16 bytes long.
 Data: < d&#219;H            > 90 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028048DB5A00, 16 bytes long.
 Data: <hd&#219;H            > 68 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028048DB6270, 16 bytes long.
 Data: <@d&#219;H            > 40 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028048DB5640, 16 bytes long.
 Data: <&#160;G&#219;H            > A0 47 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028048DB47A0, 40 bytes long.
 Data: <@V&#219;H    &#192;&#150;&#176;J    > 40 56 DB 48 80 02 00 00 C0 96 B0 4A 80 02 00 00 
{261} normal block at 0x0000028048DB5D70, 16 bytes long.
 Data: < d&#219;H            > 20 64 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028048DB60E0, 16 bytes long.
 Data: <&#248;c&#219;H            > F8 63 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028048DB03E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000028048DB59B0, 16 bytes long.
 Data: <&#208;c&#219;H            > D0 63 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028048DB63D0, 992 bytes long.
 Data: <&#176;Y&#219;H    &#224; &#219;H    > B0 59 DB 48 80 02 00 00 E0 03 DB 48 80 02 00 00 
{93} normal block at 0x0000028048DB0020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000028048DAF480, 16 bytes long.
 Data: <0G&#219;H            > 30 47 DB 48 80 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000028048DB4730, 40 bytes long.
 Data: < &#244;&#218;H      &#219;H    > 80 F4 DA 48 80 02 00 00 20 00 DB 48 80 02 00 00 
{70} normal block at 0x0000028048DAE940, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028048DAF610, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028048DAE850, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028048DAF570, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028048DAE800, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028048DAEE40, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028048DAF1B0, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028048DAEC60, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028048DAE8F0, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028048DAE7B0, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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