Task 38687077

Name test_701-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4332_0
Workunit 31628483
Created 28 Oct 2026, 5:54:00 UTC
Sent 28 Oct 2026, 5:54:04 UTC
Report deadline 2 Nov 2026, 5:54:04 UTC
Received 28 Oct 2026, 6:28:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 33 min 54 sec
CPU time 30 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.50 MB
Peak swap size 6.90 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:55:46 (28452): wrapper (7.9.26016): starting
00:55:46 (28452): 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
00:55:48 (28452): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:55:48 (28452): 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\13\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\13\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
01:28:20 (28452): C:/Windows/system32/cmd.exe exited; CPU time 1856.421875
01:28:20 (28452): 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: 43135053 bytes.
Dumping objects ->
{3835265} normal block at 0x0000027E814AD310, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000027EFF854F60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000027EFF854B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000027EFF854E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000027EFF854A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000027E814F5FF0, 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) : {3835177} normal block at 0x0000027EFF84F4F0, 8 bytes long.
 Data: <  &#214;&#255;~   > 00 00 D6 FF 7E 02 00 00 
{3833963} normal block at 0x0000027EFF84F0E0, 8 bytes long.
 Data: <0&#223;P ~   > 30 DF 50 81 7E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027EFF8512E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027EFF846710, 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 0x0000027EFF856400, 16 bytes long.
 Data: <8h&#133;&#255;~           > 38 68 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027EFF855820, 16 bytes long.
 Data: < h&#133;&#255;~           > 10 68 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027EFF850850, 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 0x0000027EFF855CD0, 16 bytes long.
 Data: <&#232;g&#133;&#255;~           > E8 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027EFF855C30, 16 bytes long.
 Data: <&#192;g&#133;&#255;~           > C0 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027EFF856270, 16 bytes long.
 Data: < g&#133;&#255;~           > 98 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027EFF8563B0, 16 bytes long.
 Data: <pg&#133;&#255;~           > 70 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027EFF854FD0, 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 0x0000027EFF855E60, 16 bytes long.
 Data: <&#248;&#182;&#131;&#255;~           > F8 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027EFF850130, 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 0x0000027EFF855A50, 16 bytes long.
 Data: <&#208;&#182;&#131;&#255;~           > D0 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027EFF855DC0, 16 bytes long.
 Data: <&#168;&#182;&#131;&#255;~           > A8 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027EFF855F00, 16 bytes long.
 Data: < &#182;&#131;&#255;~           > 80 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027EFF855690, 16 bytes long.
 Data: <X&#182;&#131;&#255;~           > 58 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027EFF855A00, 16 bytes long.
 Data: <0&#182;&#131;&#255;~           > 30 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027EFF856090, 16 bytes long.
 Data: < &#182;&#131;&#255;~           > 08 B6 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027EFF84FA10, 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 0x0000027EFF855AA0, 16 bytes long.
 Data: <&#224;&#181;&#131;&#255;~           > E0 B5 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027EFF83B5E0, 320 bytes long.
 Data: <&#160;Z&#133;&#255;~    &#250;&#132;&#255;~   > A0 5A 85 FF 7E 02 00 00 10 FA 84 FF 7E 02 00 00 
{277} normal block at 0x0000027EFF855C80, 16 bytes long.
 Data: <Pg&#133;&#255;~           > 50 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027EFF855AF0, 16 bytes long.
 Data: <(g&#133;&#255;~           > 28 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027EFF850010, 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 0x0000027EFF855B90, 16 bytes long.
 Data: < g&#133;&#255;~           > 00 67 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027EFF84FB30, 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 0x0000027EFF8559B0, 16 bytes long.
 Data: <Hf&#133;&#255;~           > 48 66 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027EFF855640, 16 bytes long.
 Data: < f&#133;&#255;~           > 20 66 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027EFF855E10, 16 bytes long.
 Data: <&#248;e&#133;&#255;~           > F8 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027EFF855550, 16 bytes long.
 Data: <&#208;e&#133;&#255;~           > D0 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027EFF855D70, 16 bytes long.
 Data: <&#168;e&#133;&#255;~           > A8 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027EFF855910, 16 bytes long.
 Data: < e&#133;&#255;~           > 80 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027EFF855BE0, 16 bytes long.
 Data: <&#192;L&#133;&#255;~           > C0 4C 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027EFF854CC0, 40 bytes long.
 Data: <&#224;[&#133;&#255;~   &#240;_O ~   > E0 5B 85 FF 7E 02 00 00 F0 5F 4F 81 7E 02 00 00 
{263} normal block at 0x0000027EFF856040, 16 bytes long.
 Data: <`e&#133;&#255;~           > 60 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027EFF856180, 16 bytes long.
 Data: <8e&#133;&#255;~           > 38 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027EFF8504F0, 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 0x0000027EFF855960, 16 bytes long.
 Data: < e&#133;&#255;~           > 10 65 85 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027EFF856510, 992 bytes long.
 Data: <`Y&#133;&#255;~   &#240; &#133;&#255;~   > 60 59 85 FF 7E 02 00 00 F0 04 85 FF 7E 02 00 00 
{95} normal block at 0x0000027EFF84FA70, 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 0x0000027EFF84F810, 16 bytes long.
 Data: <P&#231;&#131;&#255;~           > 50 E7 83 FF 7E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027EFF83E750, 40 bytes long.
 Data: < &#248;&#132;&#255;~   p&#250;&#132;&#255;~   > 10 F8 84 FF 7E 02 00 00 70 FA 84 FF 7E 02 00 00 
{72} normal block at 0x0000027EFF84F590, 16 bytes long.
 Data: < &#234;L7&#247;           > 80 EA 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027EFF84EEB0, 16 bytes long.
 Data: <@&#233;L7&#247;           > 40 E9 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027EFF84F900, 16 bytes long.
 Data: <&#248;WI7&#247;           > F8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027EFF84EFF0, 16 bytes long.
 Data: <&#216;WI7&#247;           > D8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027EFF84F7C0, 16 bytes long.
 Data: <P I7&#247;           > 50 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027EFF84EAF0, 16 bytes long.
 Data: <0 I7&#247;           > 30 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027EFF84EFA0, 16 bytes long.
 Data: <&#224; I7&#247;           > E0 02 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027EFF84EF50, 16 bytes long.
 Data: <  I7&#247;           > 10 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027EFF84F770, 16 bytes long.
 Data: <p I7&#247;           > 70 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027EFF84F090, 16 bytes long.
 Data: < &#192;G7&#247;           > 18 C0 47 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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