Task 38673246

Name test_106-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9817_0
Workunit 31615340
Created 26 Oct 2026, 1:57:39 UTC
Sent 26 Oct 2026, 1:57:42 UTC
Report deadline 31 Oct 2026, 1:57:42 UTC
Received 26 Oct 2026, 2:30:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 17 sec
CPU time 30 min 28 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 724.38 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>
21:59:35 (73368): wrapper (7.9.26016): starting
21:59:35 (73368): 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
21:59:36 (73368): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:59:36 (73368): 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
22:30:02 (73368): C:/Windows/system32/cmd.exe exited; CPU time 1828.937500
22:30:02 (73368): 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: 56678199 bytes.
Dumping objects ->
{3835426} normal block at 0x00000201E0F6E430, 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 0x00000201E0F6E7B0, 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 0x00000201E0F6E3C0, 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 0x00000201E0F6EDD0, 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 0x00000201E0F6F000, 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 0x00000201E2C50A50, 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 0x00000201E0FA4DA0, 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 0x00000201E0F3CEA0, 8 bytes long.
 Data: <  &#156;&#226;    > 00 00 9C E2 01 02 00 00 
{3834683} normal block at 0x00000201E0FA44B0, 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 0x00000201E0F3CE50, 8 bytes long.
 Data: <@ &#243;&#224;    > 40 0D F3 E0 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000201E0F2DBF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x00000201E0F349A0, 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 0x00000201E0F4B9A0, 16 bytes long.
 Data: <&#232;|&#244;&#224;            > E8 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000201E0F4B310, 16 bytes long.
 Data: <&#192;|&#244;&#224;            > C0 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000201E0F491B0, 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 0x00000201E0F4BEA0, 16 bytes long.
 Data: < |&#244;&#224;            > 98 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000201E0F4BAE0, 16 bytes long.
 Data: <p|&#244;&#224;            > 70 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000201E0F4B590, 16 bytes long.
 Data: <H|&#244;&#224;            > 48 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000201E0F4B810, 16 bytes long.
 Data: < |&#244;&#224;            > 20 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000201E0F48DD0, 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 0x00000201E0F4B7C0, 16 bytes long.
 Data: <  &#243;&#224;            > 88 1E F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000201E0F49210, 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 0x00000201E0F4B2C0, 16 bytes long.
 Data: <` &#243;&#224;            > 60 1E F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000201E0F4B770, 16 bytes long.
 Data: <8 &#243;&#224;            > 38 1E F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000201E0F4BE50, 16 bytes long.
 Data: <  &#243;&#224;            > 10 1E F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000201E0F4B270, 16 bytes long.
 Data: <&#232; &#243;&#224;            > E8 1D F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000201E0F4B220, 16 bytes long.
 Data: <&#192; &#243;&#224;            > C0 1D F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000201E0F4B090, 16 bytes long.
 Data: <  &#243;&#224;            > 98 1D F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000201E0F492D0, 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 0x00000201E0F4BDB0, 16 bytes long.
 Data: <p &#243;&#224;            > 70 1D F3 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000201E0F31D70, 320 bytes long.
 Data: <&#176;&#189;&#244;&#224;    &#208;&#146;&#244;&#224;    > B0 BD F4 E0 01 02 00 00 D0 92 F4 E0 01 02 00 00 
{313} normal block at 0x00000201E0F4BE00, 16 bytes long.
 Data: < |&#244;&#224;            > 00 7C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000201E0F4B540, 16 bytes long.
 Data: <&#216;{&#244;&#224;            > D8 7B F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000201E0F49DB0, 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 0x00000201E0F4B680, 16 bytes long.
 Data: <&#176;{&#244;&#224;            > B0 7B F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000201E0F49BD0, 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 0x00000201E0F4B950, 16 bytes long.
 Data: <&#248;z&#244;&#224;            > F8 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000201E0F4BA40, 16 bytes long.
 Data: <&#208;z&#244;&#224;            > D0 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000201E0F4B400, 16 bytes long.
 Data: <&#168;z&#244;&#224;            > A8 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000201E0F4B0E0, 16 bytes long.
 Data: < z&#244;&#224;            > 80 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000201E0F4B900, 16 bytes long.
 Data: <Xz&#244;&#224;            > 58 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000201E0F4B8B0, 16 bytes long.
 Data: <0z&#244;&#224;            > 30 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000201E0F4B180, 16 bytes long.
 Data: < &#140;&#244;&#224;            > 80 8C F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000201E0F48C80, 40 bytes long.
 Data: < &#177;&#244;&#224;    P &#197;&#226;    > 80 B1 F4 E0 01 02 00 00 50 0A C5 E2 01 02 00 00 
{299} normal block at 0x00000201E0F4B720, 16 bytes long.
 Data: < z&#244;&#224;            > 10 7A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000201E0F4BEF0, 16 bytes long.
 Data: <&#232;y&#244;&#224;            > E8 79 F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000201E0F495D0, 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 0x00000201E0F4BFE0, 16 bytes long.
 Data: <&#192;y&#244;&#224;            > C0 79 F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000201E0F479C0, 992 bytes long.
 Data: <&#224;&#191;&#244;&#224;    &#208;&#149;&#244;&#224;    > E0 BF F4 E0 01 02 00 00 D0 95 F4 E0 01 02 00 00 
{131} normal block at 0x00000201E0F49270, 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 0x00000201E0F3D030, 16 bytes long.
 Data: <&#192;&#138;&#244;&#224;            > C0 8A F4 E0 01 02 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000201E0F48AC0, 40 bytes long.
 Data: <0&#208;&#243;&#224;    p&#146;&#244;&#224;    > 30 D0 F3 E0 01 02 00 00 70 92 F4 E0 01 02 00 00 
{108} normal block at 0x00000201E0F3CFE0, 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 0x00000201E0F3D490, 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 0x00000201E0F3CC70, 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 0x00000201E0F3D1C0, 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 0x00000201E0F3C9A0, 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 0x00000201E0F3CBD0, 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 0x00000201E0F3D620, 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 0x00000201E0F3CB30, 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 0x00000201E0F3C860, 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 0x00000201E0F3D530, 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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