Task 38673466

Name test_863-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9145_0
Workunit 31615540
Created 26 Oct 2026, 2:30:15 UTC
Sent 26 Oct 2026, 2:30:21 UTC
Report deadline 31 Oct 2026, 2:30:21 UTC
Received 26 Oct 2026, 3:06:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 13 sec
CPU time 30 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.36 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:35:36 (22324): wrapper (7.9.26016): starting
22:35:36 (22324): 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
22:35:37 (22324): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:35:37 (22324): 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
23:05:54 (22324): C:/Windows/system32/cmd.exe exited; CPU time 1815.906250
23:05:54 (22324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 56297573 bytes.
Dumping objects ->
{3835426} normal block at 0x00000247EA13EC70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x00000247EA13E960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x00000247EA13E490, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x00000247EA13E2D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x00000247EA13E570, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x00000247EBE814D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x00000247EA175060, 140 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) : {3835337} normal block at 0x00000247EA10D670, 8 bytes long.
 Data: <  &#188;&#235;G   > 00 00 BC EB 47 02 00 00 
{3834683} normal block at 0x00000247EA1752D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x00000247EA10CBD0, 8 bytes long.
 Data: <&#224;) &#234;G   > E0 29 14 EA 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000247EA0FE4B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x00000247EA104490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x00000247EA11B970, 16 bytes long.
 Data: <h} &#234;G           > 68 7D 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000247EA11BDD0, 16 bytes long.
 Data: <@} &#234;G           > 40 7D 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000247EA1146B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x00000247EA11B920, 16 bytes long.
 Data: < } &#234;G           > 18 7D 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000247EA11B6F0, 16 bytes long.
 Data: <&#240;| &#234;G           > F0 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000247EA11B6A0, 16 bytes long.
 Data: <&#200;| &#234;G           > C8 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000247EA11BB00, 16 bytes long.
 Data: <&#160;| &#234;G           > A0 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000247EA118DD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x00000247EA11BC90, 16 bytes long.
 Data: <   &#234;G           > 88 1E 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000247EA113B70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x00000247EA11B740, 16 bytes long.
 Data: <`  &#234;G           > 60 1E 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000247EA11B880, 16 bytes long.
 Data: <8  &#234;G           > 38 1E 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000247EA11B600, 16 bytes long.
 Data: <   &#234;G           > 10 1E 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000247EA11B5B0, 16 bytes long.
 Data: <&#232;  &#234;G           > E8 1D 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000247EA11B510, 16 bytes long.
 Data: <&#192;  &#234;G           > C0 1D 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000247EA11BB50, 16 bytes long.
 Data: <   &#234;G           > 98 1D 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000247EA114A10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x00000247EA11B060, 16 bytes long.
 Data: <p  &#234;G           > 70 1D 10 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000247EA101D70, 320 bytes long.
 Data: <`&#176; &#234;G    J &#234;G   > 60 B0 11 EA 47 02 00 00 10 4A 11 EA 47 02 00 00 
{313} normal block at 0x00000247EA11B4C0, 16 bytes long.
 Data: < | &#234;G           > 80 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000247EA11B380, 16 bytes long.
 Data: <X| &#234;G           > 58 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000247EA113C30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x00000247EA11BD80, 16 bytes long.
 Data: <0| &#234;G           > 30 7C 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000247EA114950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x00000247EA11BD30, 16 bytes long.
 Data: <x{ &#234;G           > 78 7B 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000247EA11B330, 16 bytes long.
 Data: <P{ &#234;G           > 50 7B 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000247EA11B010, 16 bytes long.
 Data: <({ &#234;G           > 28 7B 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000247EA11B240, 16 bytes long.
 Data: < { &#234;G           > 00 7B 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000247EA11BC40, 16 bytes long.
 Data: <&#216;z &#234;G           > D8 7A 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000247EA11B290, 16 bytes long.
 Data: <&#176;z &#234;G           > B0 7A 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000247EA11BEC0, 16 bytes long.
 Data: <&#176;&#142; &#234;G           > B0 8E 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000247EA118EB0, 40 bytes long.
 Data: <&#192;&#190; &#234;G   &#208; &#232;&#235;G   > C0 BE 11 EA 47 02 00 00 D0 14 E8 EB 47 02 00 00 
{299} normal block at 0x00000247EA11B150, 16 bytes long.
 Data: < z &#234;G           > 90 7A 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000247EA11BA60, 16 bytes long.
 Data: <hz &#234;G           > 68 7A 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000247EA114530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x00000247EA11B9C0, 16 bytes long.
 Data: <@z &#234;G           > 40 7A 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247EA117A40, 992 bytes long.
 Data: <&#192;&#185; &#234;G   0E &#234;G   > C0 B9 11 EA 47 02 00 00 30 45 11 EA 47 02 00 00 
{131} normal block at 0x00000247EA1144D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x00000247EA10D620, 16 bytes long.
 Data: <&#224;&#137; &#234;G           > E0 89 11 EA 47 02 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000247EA1189E0, 40 bytes long.
 Data: < &#214; &#234;G   &#208;D &#234;G   > 20 D6 10 EA 47 02 00 00 D0 44 11 EA 47 02 00 00 
{108} normal block at 0x00000247EA10D530, 16 bytes long.
 Data: < &#234;&#134; &#247;           > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000247EA10D210, 16 bytes long.
 Data: <@&#233;&#134; &#247;           > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000247EA10CA90, 16 bytes long.
 Data: <&#248;W&#131; &#247;           > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000247EA10D0D0, 16 bytes long.
 Data: <&#216;W&#131; &#247;           > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000247EA10CC70, 16 bytes long.
 Data: <P &#131; &#247;           > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x00000247EA10D4E0, 16 bytes long.
 Data: <0 &#131; &#247;           > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000247EA10D080, 16 bytes long.
 Data: <&#224; &#131; &#247;           > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000247EA10CAE0, 16 bytes long.
 Data: <  &#131; &#247;           > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000247EA10D490, 16 bytes long.
 Data: <p &#131; &#247;           > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000247EA10D3F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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