Task 38664667

Name test_841-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND2316_0
Workunit 31607799
Created 24 Oct 2026, 23:52:50 UTC
Sent 24 Oct 2026, 23:53:12 UTC
Report deadline 29 Oct 2026, 23:53:12 UTC
Received 25 Oct 2026, 0:26:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 53 sec
CPU time 30 min 55 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 723.02 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>
19:54:59 (75140): wrapper (7.9.26016): starting
19:54:59 (75140): 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
19:55:01 (75140): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:55:01 (75140): 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
20:25:56 (75140): C:/Windows/system32/cmd.exe exited; CPU time 1855.781250
20:25:56 (75140): 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: 59338799 bytes.
Dumping objects ->
{3835426} normal block at 0x0000014FD4B1E650, 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 0x0000014FD4B1EB20, 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 0x0000014FD4B1E2D0, 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 0x0000014FD4B1EDC0, 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 0x0000014FD4B1E880, 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 0x0000014FD67E0E50, 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 0x0000014FD4B55200, 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 0x0000014FD4AED620, 8 bytes long.
 Data: <  h&#214;O   > 00 00 68 D6 4F 01 00 00 
{3834683} normal block at 0x0000014FD4B55130, 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 0x0000014FD4AECEA0, 8 bytes long.
 Data: <&#224;)&#178;&#212;O   > E0 29 B2 D4 4F 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x0000014FD4ADE0F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x0000014FD4AE4130, 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 0x0000014FD4AFB1F0, 16 bytes long.
 Data: <h}&#175;&#212;O           > 68 7D AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x0000014FD4AFB740, 16 bytes long.
 Data: <@}&#175;&#212;O           > 40 7D AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x0000014FD4AF4830, 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 0x0000014FD4AFB1A0, 16 bytes long.
 Data: < }&#175;&#212;O           > 18 7D AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x0000014FD4AFB150, 16 bytes long.
 Data: <&#240;|&#175;&#212;O           > F0 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x0000014FD4AFB8D0, 16 bytes long.
 Data: <&#200;|&#175;&#212;O           > C8 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x0000014FD4AFB290, 16 bytes long.
 Data: <&#160;|&#175;&#212;O           > A0 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x0000014FD4AF8DD0, 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 0x0000014FD4AFB0B0, 16 bytes long.
 Data: <  &#174;&#212;O           > 88 1E AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x0000014FD4AF4A70, 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 0x0000014FD4AFB380, 16 bytes long.
 Data: <` &#174;&#212;O           > 60 1E AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x0000014FD4AFB100, 16 bytes long.
 Data: <8 &#174;&#212;O           > 38 1E AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x0000014FD4AFB060, 16 bytes long.
 Data: <  &#174;&#212;O           > 10 1E AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x0000014FD4AFBE70, 16 bytes long.
 Data: <&#232; &#174;&#212;O           > E8 1D AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x0000014FD4AFB470, 16 bytes long.
 Data: <&#192; &#174;&#212;O           > C0 1D AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x0000014FD4AFBD80, 16 bytes long.
 Data: <  &#174;&#212;O           > 98 1D AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x0000014FD4AF3D50, 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 0x0000014FD4AFBD30, 16 bytes long.
 Data: <p &#174;&#212;O           > 70 1D AE D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000014FD4AE1D70, 320 bytes long.
 Data: <0&#189;&#175;&#212;O   P=&#175;&#212;O   > 30 BD AF D4 4F 01 00 00 50 3D AF D4 4F 01 00 00 
{313} normal block at 0x0000014FD4AFB010, 16 bytes long.
 Data: < |&#175;&#212;O           > 80 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000014FD4AFBA60, 16 bytes long.
 Data: <X|&#175;&#212;O           > 58 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000014FD4AF42F0, 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 0x0000014FD4AFB560, 16 bytes long.
 Data: <0|&#175;&#212;O           > 30 7C AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000014FD4AF4770, 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 0x0000014FD4AFB880, 16 bytes long.
 Data: <x{&#175;&#212;O           > 78 7B AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000014FD4AFBF10, 16 bytes long.
 Data: <P{&#175;&#212;O           > 50 7B AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000014FD4AFBA10, 16 bytes long.
 Data: <({&#175;&#212;O           > 28 7B AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000014FD4AFB6F0, 16 bytes long.
 Data: < {&#175;&#212;O           > 00 7B AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000014FD4AFB970, 16 bytes long.
 Data: <&#216;z&#175;&#212;O           > D8 7A AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000014FD4AFBBA0, 16 bytes long.
 Data: <&#176;z&#175;&#212;O           > B0 7A AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000014FD4AFBAB0, 16 bytes long.
 Data: <0&#139;&#175;&#212;O           > 30 8B AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014FD4AF8B30, 40 bytes long.
 Data: <&#176;&#186;&#175;&#212;O   P ~&#214;O   > B0 BA AF D4 4F 01 00 00 50 0E 7E D6 4F 01 00 00 
{299} normal block at 0x0000014FD4AFB2E0, 16 bytes long.
 Data: < z&#175;&#212;O           > 90 7A AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014FD4AFBCE0, 16 bytes long.
 Data: <hz&#175;&#212;O           > 68 7A AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014FD4AF48F0, 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 0x0000014FD4AFBEC0, 16 bytes long.
 Data: <@z&#175;&#212;O           > 40 7A AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014FD4AF7A40, 992 bytes long.
 Data: <&#192;&#190;&#175;&#212;O   &#240;H&#175;&#212;O   > C0 BE AF D4 4F 01 00 00 F0 48 AF D4 4F 01 00 00 
{131} normal block at 0x0000014FD4AF3BD0, 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 0x0000014FD4AECF40, 16 bytes long.
 Data: <  &#175;&#212;O           > 90 88 AF D4 4F 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x0000014FD4AF8890, 40 bytes long.
 Data: <@&#207;&#174;&#212;O   &#208;;&#175;&#212;O   > 40 CF AE D4 4F 01 00 00 D0 3B AF D4 4F 01 00 00 
{108} normal block at 0x0000014FD4AECB80, 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 0x0000014FD4AECDB0, 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 0x0000014FD4AED080, 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 0x0000014FD4AED760, 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 0x0000014FD4AED170, 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 0x0000014FD4AED440, 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 0x0000014FD4AED710, 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 0x0000014FD4AED120, 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 0x0000014FD4AECAE0, 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 0x0000014FD4AECEF0, 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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