Task 38668702

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9835_0
Workunit 31611158
Created 25 Oct 2026, 12:30:41 UTC
Sent 25 Oct 2026, 12:30:53 UTC
Report deadline 30 Oct 2026, 12:30:53 UTC
Received 25 Oct 2026, 12:57:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647178
Run time 22 min 41 sec
CPU time 22 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,826.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.71 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:34:34 (7204): wrapper (7.9.26016): starting
12:34:34 (7204): 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
12:34:35 (7204): Library/usr/bin/tar.exe exited; CPU time 0.046875
12:34:35 (7204): 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\18\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\18\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
12:57:08 (7204): C:/Windows/system32/cmd.exe exited; CPU time 1320.500000
12:57:08 (7204): 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: 50752675 bytes.
Dumping objects ->
{3835691} normal block at 0x0000020EDB8C55B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835680} normal block at 0x0000020EDB8C5FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835669} normal block at 0x0000020EDB8C5F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835658} normal block at 0x0000020EDB8C5540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835647} normal block at 0x0000020EDB8C5EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835616} normal block at 0x0000020EDB8C4D80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835605} normal block at 0x0000020EDD6A0AB0, 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) : {3835602} normal block at 0x0000020EDB8C1B70, 8 bytes long.
 Data: <  &#247;&#219;    > 00 00 F7 DB 0E 02 00 00 
{3834795} normal block at 0x0000020EDD6A07F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834037} normal block at 0x0000020EDB8C27A0, 8 bytes long.
 Data: < &#228; &#219;    > 20 E4 98 DB 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {350} normal block at 0x0000020EDB8B53B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{335} normal block at 0x0000020EDB8C6E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{334} normal block at 0x0000020EDB8C2700, 16 bytes long.
 Data: < &#135;&#140;&#219;            > 98 87 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{333} normal block at 0x0000020EDB8C24D0, 16 bytes long.
 Data: <p&#135;&#140;&#219;            > 70 87 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x0000020EDB8BED90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{331} normal block at 0x0000020EDB8C1DA0, 16 bytes long.
 Data: <H&#135;&#140;&#219;            > 48 87 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{330} normal block at 0x0000020EDB8C2430, 16 bytes long.
 Data: < &#135;&#140;&#219;            > 20 87 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x0000020EDB8C1FD0, 16 bytes long.
 Data: <&#248;&#134;&#140;&#219;            > F8 86 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x0000020EDB8C23E0, 16 bytes long.
 Data: <&#208;&#134;&#140;&#219;            > D0 86 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x0000020EDB8C5AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{326} normal block at 0x0000020EDB8C21B0, 16 bytes long.
 Data: <&#232;&#170;&#138;&#219;            > E8 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{325} normal block at 0x0000020EDB8BF330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{324} normal block at 0x0000020EDB8C29D0, 16 bytes long.
 Data: <&#192;&#170;&#138;&#219;            > C0 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{322} normal block at 0x0000020EDB8C1F80, 16 bytes long.
 Data: < &#170;&#138;&#219;            > 98 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x0000020EDB8C1D50, 16 bytes long.
 Data: <p&#170;&#138;&#219;            > 70 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x0000020EDB8C2390, 16 bytes long.
 Data: <H&#170;&#138;&#219;            > 48 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x0000020EDB8C1CB0, 16 bytes long.
 Data: < &#170;&#138;&#219;            > 20 AA 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x0000020EDB8C26B0, 16 bytes long.
 Data: <&#248;&#169;&#138;&#219;            > F8 A9 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x0000020EDB8BF3F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{316} normal block at 0x0000020EDB8C1E40, 16 bytes long.
 Data: <&#208;&#169;&#138;&#219;            > D0 A9 8A DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{315} normal block at 0x0000020EDB8AA9D0, 320 bytes long.
 Data: <@ &#140;&#219;    &#240;&#243;&#139;&#219;    > 40 1E 8C DB 0E 02 00 00 F0 F3 8B DB 0E 02 00 00 
{314} normal block at 0x0000020EDB8C2610, 16 bytes long.
 Data: <&#176;&#134;&#140;&#219;            > B0 86 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{313} normal block at 0x0000020EDB8C1B20, 16 bytes long.
 Data: < &#134;&#140;&#219;            > 88 86 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000020EDB8BED30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{311} normal block at 0x0000020EDB8C2160, 16 bytes long.
 Data: <`&#134;&#140;&#219;            > 60 86 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000020EDB8BF270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{309} normal block at 0x0000020EDB8C2A70, 16 bytes long.
 Data: <&#168;&#133;&#140;&#219;            > A8 85 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000020EDB8C1EE0, 16 bytes long.
 Data: < &#133;&#140;&#219;            > 80 85 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000020EDB8C2930, 16 bytes long.
 Data: <X&#133;&#140;&#219;            > 58 85 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020EDB8C1BC0, 16 bytes long.
 Data: <0&#133;&#140;&#219;            > 30 85 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020EDB8C28E0, 16 bytes long.
 Data: < &#133;&#140;&#219;            > 08 85 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020EDB8C1C60, 16 bytes long.
 Data: <&#224;&#132;&#140;&#219;            > E0 84 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020EDB8C2660, 16 bytes long.
 Data: < Z&#140;&#219;            > 80 5A 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020EDB8C5A80, 40 bytes long.
 Data: <`&&#140;&#219;     M&#140;&#219;    > 60 26 8C DB 0E 02 00 00 80 4D 8C DB 0E 02 00 00 
{300} normal block at 0x0000020EDB8C2250, 16 bytes long.
 Data: <&#192;&#132;&#140;&#219;            > C0 84 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020EDB8C25C0, 16 bytes long.
 Data: < &#132;&#140;&#219;            > 98 84 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020EDB8BEFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{297} normal block at 0x0000020EDB8C2890, 16 bytes long.
 Data: <p&#132;&#140;&#219;            > 70 84 8C DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020EDB8C8470, 992 bytes long.
 Data: < (&#140;&#219;    &#208;&#239;&#139;&#219;    > 90 28 8C DB 0E 02 00 00 D0 EF 8B DB 0E 02 00 00 
{132} normal block at 0x0000020EDB8BE970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{131} normal block at 0x0000020EDB8C2340, 16 bytes long.
 Data: <`&#224;&#139;&#219;            > 60 E0 8B DB 0E 02 00 00 00 00 00 00 00 00 00 00 
{130} normal block at 0x0000020EDB8BE060, 40 bytes long.
 Data: <@#&#140;&#219;    p&#233;&#139;&#219;    > 40 23 8C DB 0E 02 00 00 70 E9 8B DB 0E 02 00 00 
{109} normal block at 0x0000020EDB8C2520, 16 bytes long.
 Data: < &#234;s&#199;&#246;           > 80 EA 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{108} normal block at 0x0000020EDB8AE440, 16 bytes long.
 Data: <@&#233;s&#199;&#246;           > 40 E9 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x0000020EDB8AE3F0, 16 bytes long.
 Data: <&#248;Wp&#199;&#246;           > F8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000020EDB8AE3A0, 16 bytes long.
 Data: <&#216;Wp&#199;&#246;           > D8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000020EDB8AE120, 16 bytes long.
 Data: <P p&#199;&#246;           > 50 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000020EDB8AE080, 16 bytes long.
 Data: <0 p&#199;&#246;           > 30 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x0000020EDB8AEF80, 16 bytes long.
 Data: <&#224; p&#199;&#246;           > E0 02 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000020EDB8AEF30, 16 bytes long.
 Data: <  p&#199;&#246;           > 10 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000020EDB8AEE90, 16 bytes long.
 Data: <p p&#199;&#246;           > 70 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000020EDB8AEFD0, 16 bytes long.
 Data: < &#192;n&#199;&#246;           > 18 C0 6E C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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