Task 38662363

Name test_1724-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0780_1
Workunit 31605557
Created 24 Oct 2026, 18:51:36 UTC
Sent 24 Oct 2026, 18:51:56 UTC
Report deadline 29 Oct 2026, 18:51:56 UTC
Received 24 Oct 2026, 21:19:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 43 min 55 sec
CPU time 43 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.70 MB
Peak swap size 8.42 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:32:05 (26412): wrapper (7.9.26016): starting
13:32:05 (26412): 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
13:32:06 (26412): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:32:06 (26412): 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\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 'C:\ProgramData\BOINC\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
14:19:09 (26412): C:/Windows/system32/cmd.exe exited; CPU time 2635.015625
14:19:09 (26412): 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: 54857467 bytes.
Dumping objects ->
{3835458} normal block at 0x000002EDE9C3FAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002EDE9C3F6D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002EDE9C3F970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002EDE7F07510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002EDE7F074A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002EDE9C8AFE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002EDE9CA1B80, 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) : {3835369} normal block at 0x000002EDE7EFF7E0, 8 bytes long.
 Data: <  &#234;&#231;&#237;   > 00 00 EA E7 ED 02 00 00 
{3834654} normal block at 0x000002EDE9CA1340, 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 0x000002EDE7EFEE30, 8 bytes long.
 Data: <&#224;&#215;&#253;&#231;&#237;   > E0 D7 FD E7 ED 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002EDE7F02BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002EDE7EF7700, 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 0x000002EDE7F07BA0, 16 bytes long.
 Data: <H &#240;&#231;&#237;           > 48 8D F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002EDE7F084B0, 16 bytes long.
 Data: <  &#240;&#231;&#237;           > 20 8D F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002EDE7F013A0, 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 0x000002EDE7F08000, 16 bytes long.
 Data: <&#248;&#140;&#240;&#231;&#237;           > F8 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EDE7F08140, 16 bytes long.
 Data: <&#208;&#140;&#240;&#231;&#237;           > D0 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002EDE7F08690, 16 bytes long.
 Data: <&#168;&#140;&#240;&#231;&#237;           > A8 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EDE7F07B00, 16 bytes long.
 Data: < &#140;&#240;&#231;&#237;           > 80 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EDE7F076D0, 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 0x000002EDE7F07FB0, 16 bytes long.
 Data: <(&#187;&#238;&#231;&#237;           > 28 BB EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EDE7F012E0, 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 0x000002EDE7F07F60, 16 bytes long.
 Data: < &#187;&#238;&#231;&#237;           > 00 BB EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002EDE7F07C90, 16 bytes long.
 Data: <&#216;&#186;&#238;&#231;&#237;           > D8 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EDE7F07B50, 16 bytes long.
 Data: <&#176;&#186;&#238;&#231;&#237;           > B0 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EDE7F085A0, 16 bytes long.
 Data: < &#186;&#238;&#231;&#237;           > 88 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EDE7F07EC0, 16 bytes long.
 Data: <`&#186;&#238;&#231;&#237;           > 60 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EDE7F07AB0, 16 bytes long.
 Data: <8&#186;&#238;&#231;&#237;           > 38 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EDE7F00BC0, 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 0x000002EDE7F08910, 16 bytes long.
 Data: < &#186;&#238;&#231;&#237;           > 10 BA EE E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EDE7EEBA10, 320 bytes long.
 Data: < &#137;&#240;&#231;&#237;   &#192; &#240;&#231;&#237;   > 10 89 F0 E7 ED 02 00 00 C0 0B F0 E7 ED 02 00 00 
{278} normal block at 0x000002EDE7F07A60, 16 bytes long.
 Data: <`&#140;&#240;&#231;&#237;           > 60 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EDE7F07E70, 16 bytes long.
 Data: <8&#140;&#240;&#231;&#237;           > 38 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002EDE7F01100, 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 0x000002EDE7F07E20, 16 bytes long.
 Data: < &#140;&#240;&#231;&#237;           > 10 8C F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EDE7F01460, 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 0x000002EDE7F088C0, 16 bytes long.
 Data: <X&#139;&#240;&#231;&#237;           > 58 8B F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EDE7F08050, 16 bytes long.
 Data: <0&#139;&#240;&#231;&#237;           > 30 8B F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002EDE7F08320, 16 bytes long.
 Data: < &#139;&#240;&#231;&#237;           > 08 8B F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EDE7F08550, 16 bytes long.
 Data: <&#224;&#138;&#240;&#231;&#237;           > E0 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EDE7F08870, 16 bytes long.
 Data: <&#184;&#138;&#240;&#231;&#237;           > B8 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EDE7F089B0, 16 bytes long.
 Data: < &#138;&#240;&#231;&#237;           > 90 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EDE7F08460, 16 bytes long.
 Data: <&#240;u&#240;&#231;&#237;           > F0 75 F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002EDE7F075F0, 40 bytes long.
 Data: <`&#132;&#240;&#231;&#237;   &#224;&#175;&#200;&#233;&#237;   > 60 84 F0 E7 ED 02 00 00 E0 AF C8 E9 ED 02 00 00 
{264} normal block at 0x000002EDE7F07F10, 16 bytes long.
 Data: <p&#138;&#240;&#231;&#237;           > 70 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EDE7F086E0, 16 bytes long.
 Data: <H&#138;&#240;&#231;&#237;           > 48 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002EDE7F009E0, 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 0x000002EDE7F08820, 16 bytes long.
 Data: < &#138;&#240;&#231;&#237;           > 20 8A F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002EDE7F08A20, 992 bytes long.
 Data: <  &#240;&#231;&#237;   &#224;	&#240;&#231;&#237;   > 20 88 F0 E7 ED 02 00 00 E0 09 F0 E7 ED 02 00 00 
{96} normal block at 0x000002EDE7F00860, 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 0x000002EDE7EFF010, 16 bytes long.
 Data: <@w&#240;&#231;&#237;           > 40 77 F0 E7 ED 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002EDE7F07740, 40 bytes long.
 Data: < &#240;&#239;&#231;&#237;   ` &#240;&#231;&#237;   > 10 F0 EF E7 ED 02 00 00 60 08 F0 E7 ED 02 00 00 
{73} normal block at 0x000002EDE7EFEC50, 16 bytes long.
 Data: < &#234;&#227;&#231;&#246;           > 80 EA E3 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002EDE7EFF1A0, 16 bytes long.
 Data: <@&#233;&#227;&#231;&#246;           > 40 E9 E3 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002EDE7EFECF0, 16 bytes long.
 Data: <&#248;W&#224;&#231;&#246;           > F8 57 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EDE7EFE930, 16 bytes long.
 Data: <&#216;W&#224;&#231;&#246;           > D8 57 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EDE7EFF600, 16 bytes long.
 Data: <P &#224;&#231;&#246;           > 50 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EDE7EFE890, 16 bytes long.
 Data: <0 &#224;&#231;&#246;           > 30 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EDE7EFF790, 16 bytes long.
 Data: <&#224; &#224;&#231;&#246;           > E0 02 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EDE7EFEE80, 16 bytes long.
 Data: <  &#224;&#231;&#246;           > 10 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EDE7EFF560, 16 bytes long.
 Data: <p &#224;&#231;&#246;           > 70 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EDE7EFEA20, 16 bytes long.
 Data: < &#192;&#222;&#231;&#246;           > 18 C0 DE E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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