Task 38675265

Name test_739-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5626_0
Workunit 31617244
Created 26 Oct 2026, 7:45:58 UTC
Sent 26 Oct 2026, 7:46:05 UTC
Report deadline 31 Oct 2026, 7:46:05 UTC
Received 26 Oct 2026, 8:09:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 22 min 36 sec
CPU time 18 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.43 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:47:08 (43404): wrapper (7.9.26016): starting
08:47:08 (43404): 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
08:47:09 (43404): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:09 (43404): 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\34\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\34\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
09:09:00 (43404): C:/Windows/system32/cmd.exe exited; CPU time 1083.234375
09:09:00 (43404): 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: 33962787 bytes.
Dumping objects ->
{3835618} normal block at 0x00000204045AD000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x00000204045ACF90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x0000020402924870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x0000020402924800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x00000204029249C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x00000204045F95F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000002040460ED40, 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) : {3835529} normal block at 0x000002040291F0C0, 8 bytes long.
 Data: <        > 00 00 8F 02 04 02 00 00 
{3834721} normal block at 0x000002040460EBE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002040291E8F0, 8 bytes long.
 Data: < 3e     > 20 33 65 04 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020402920FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020402915CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000020402925960, 16 bytes long.
 Data: <8h&#146;             > 38 68 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020402926180, 16 bytes long.
 Data: < h&#146;             > 10 68 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020402920520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000204029255F0, 16 bytes long.
 Data: <&#232;g&#146;             > E8 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020402925AA0, 16 bytes long.
 Data: <&#192;g&#146;             > C0 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020402925A50, 16 bytes long.
 Data: < g&#146;             > 98 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020402925CD0, 16 bytes long.
 Data: <pg&#146;             > 70 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020402924C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000020402925C80, 16 bytes long.
 Data: < &#181;              > 88 B5 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002040291FC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000020402925910, 16 bytes long.
 Data: <`&#181;              > 60 B5 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204029258C0, 16 bytes long.
 Data: <8&#181;              > 38 B5 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020402925820, 16 bytes long.
 Data: < &#181;              > 10 B5 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204029259B0, 16 bytes long.
 Data: <&#232;&#180;              > E8 B4 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020402925EB0, 16 bytes long.
 Data: <&#192;&#180;              > C0 B4 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204029257D0, 16 bytes long.
 Data: < &#180;              > 98 B4 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002040291FAA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000020402926360, 16 bytes long.
 Data: <p&#180;              > 70 B4 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002040290B470, 320 bytes long.
 Data: <`c&#146;     &#160;&#250;&#145;     > 60 63 92 02 04 02 00 00 A0 FA 91 02 04 02 00 00 
{277} normal block at 0x0000020402925DC0, 16 bytes long.
 Data: <Pg&#146;             > 50 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020402926270, 16 bytes long.
 Data: <(g&#146;             > 28 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204029202E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000020402925C30, 16 bytes long.
 Data: < g&#146;             > 00 67 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204029200A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000020402925FA0, 16 bytes long.
 Data: <Hf&#146;             > 48 66 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020402925B40, 16 bytes long.
 Data: < f&#146;             > 20 66 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020402925BE0, 16 bytes long.
 Data: <&#248;e&#146;             > F8 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020402926450, 16 bytes long.
 Data: <&#208;e&#146;             > D0 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020402925730, 16 bytes long.
 Data: <&#168;e&#146;             > A8 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020402925870, 16 bytes long.
 Data: < e&#146;             > 80 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000204029256E0, 16 bytes long.
 Data: <&#208;L&#146;             > D0 4C 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020402924CD0, 40 bytes long.
 Data: <&#224;V&#146;     &#240;&#149;_     > E0 56 92 02 04 02 00 00 F0 95 5F 04 04 02 00 00 
{263} normal block at 0x0000020402926310, 16 bytes long.
 Data: <`e&#146;             > 60 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000204029262C0, 16 bytes long.
 Data: <8e&#146;             > 38 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002040291FC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000020402925AF0, 16 bytes long.
 Data: < e&#146;             > 10 65 92 02 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020402926510, 992 bytes long.
 Data: <&#240;Z&#146;      &#252;&#145;     > F0 5A 92 02 04 02 00 00 20 FC 91 02 04 02 00 00 
{95} normal block at 0x000002040291F9E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002040291F200, 16 bytes long.
 Data: <p&#228;              > 70 E4 90 02 04 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002040290E470, 40 bytes long.
 Data: < &#242;&#145;     &#224;&#249;&#145;     > 00 F2 91 02 04 02 00 00 E0 F9 91 02 04 02 00 00 
{72} normal block at 0x000002040291ECB0, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002040291EB20, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002040291F570, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002040291EAD0, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002040291F520, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002040291F660, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002040291EB70, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002040291F390, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002040291F480, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002040291EBC0, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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