Task 38681429

Name test_915-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7595_0
Workunit 31623094
Created 27 Oct 2026, 3:57:09 UTC
Sent 27 Oct 2026, 3:57:20 UTC
Report deadline 1 Nov 2026, 3:57:20 UTC
Received 27 Oct 2026, 4:32:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647178
Run time 24 min 19 sec
CPU time 23 min 42 sec
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 764.85 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>
04:07:37 (82680): wrapper (7.9.26016): starting
04:07:37 (82680): 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
04:07:39 (82680): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:07:39 (82680): 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\37\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\37\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
04:31:38 (82680): C:/Windows/system32/cmd.exe exited; CPU time 1422.312500
04:31:38 (82680): 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: 84163311 bytes.
Dumping objects ->
{3835703} normal block at 0x000002A82903DFF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835692} normal block at 0x000002A82903DF80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835681} normal block at 0x000002A82903DDC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835670} normal block at 0x000002A82903DE30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835659} normal block at 0x000002A82903D6C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835628} normal block at 0x000002A82ABF1250, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835617} normal block at 0x000002A82AD040E0, 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) : {3835614} normal block at 0x000002A829007F70, 8 bytes long.
 Data: <  ?)&#168;   > 00 00 3F 29 A8 02 00 00 
{3834807} normal block at 0x000002A82AD03F80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834049} normal block at 0x000002A829007D40, 8 bytes long.
 Data: < &#235; )&#168;   > 80 EB 0E 29 A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {356} normal block at 0x000002A8290149C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{341} normal block at 0x000002A82900B970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{340} normal block at 0x000002A82901AC30, 16 bytes long.
 Data: < &#177; )&#168;           > 08 B1 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{339} normal block at 0x000002A82901A5F0, 16 bytes long.
 Data: <&#224;&#176; )&#168;           > E0 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{338} normal block at 0x000002A829011A10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{337} normal block at 0x000002A82901A640, 16 bytes long.
 Data: <&#184;&#176; )&#168;           > B8 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{336} normal block at 0x000002A82901A0F0, 16 bytes long.
 Data: < &#176; )&#168;           > 90 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{335} normal block at 0x000002A82901A5A0, 16 bytes long.
 Data: <h&#176; )&#168;           > 68 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x000002A82901A0A0, 16 bytes long.
 Data: <@&#176; )&#168;           > 40 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{333} normal block at 0x000002A8290176E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{332} normal block at 0x000002A82901AA00, 16 bytes long.
 Data: <&#216;o )&#168;           > D8 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x000002A829011950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{330} normal block at 0x000002A82901A780, 16 bytes long.
 Data: <&#176;o )&#168;           > B0 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x000002A82901AAF0, 16 bytes long.
 Data: < o )&#168;           > 88 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x000002A82901A9B0, 16 bytes long.
 Data: <`o )&#168;           > 60 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x000002A82901A1E0, 16 bytes long.
 Data: <8o )&#168;           > 38 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{325} normal block at 0x000002A82901A7D0, 16 bytes long.
 Data: < o )&#168;           > 10 6F 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x000002A82901A050, 16 bytes long.
 Data: <&#232;n )&#168;           > E8 6E 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{323} normal block at 0x000002A8290112F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{322} normal block at 0x000002A82901ACD0, 16 bytes long.
 Data: <&#192;n )&#168;           > C0 6E 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x000002A829016EC0, 320 bytes long.
 Data: <&#208;&#172; )&#168;   &#240;  )&#168;   > D0 AC 01 29 A8 02 00 00 F0 12 01 29 A8 02 00 00 
{320} normal block at 0x000002A82901A000, 16 bytes long.
 Data: < &#176; )&#168;           > 20 B0 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x000002A82901A550, 16 bytes long.
 Data: <&#248;&#175; )&#168;           > F8 AF 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x000002A8290115F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{317} normal block at 0x000002A82901A140, 16 bytes long.
 Data: <&#208;&#175; )&#168;           > D0 AF 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x000002A8290117D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{315} normal block at 0x000002A82901AB90, 16 bytes long.
 Data: < &#175; )&#168;           > 18 AF 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000002A82901A500, 16 bytes long.
 Data: <&#240;&#174; )&#168;           > F0 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{313} normal block at 0x000002A82901A960, 16 bytes long.
 Data: <&#200;&#174; )&#168;           > C8 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000002A82901A230, 16 bytes long.
 Data: <&#160;&#174; )&#168;           > A0 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000002A82901ABE0, 16 bytes long.
 Data: <x&#174; )&#168;           > 78 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002A82901A4B0, 16 bytes long.
 Data: <P&#174; )&#168;           > 50 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002A82901A870, 16 bytes long.
 Data: <&#192;w )&#168;           > C0 77 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002A8290177C0, 40 bytes long.
 Data: <p&#168; )&#168;   P &#191;*&#168;   > 70 A8 01 29 A8 02 00 00 50 12 BF 2A A8 02 00 00 
{306} normal block at 0x000002A82901A460, 16 bytes long.
 Data: <0&#174; )&#168;           > 30 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002A82901A730, 16 bytes long.
 Data: < &#174; )&#168;           > 08 AE 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002A829011410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{303} normal block at 0x000002A829019FB0, 16 bytes long.
 Data: <&#224;&#173; )&#168;           > E0 AD 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002A82901ADE0, 992 bytes long.
 Data: <&#176;&#159; )&#168;      )&#168;   > B0 9F 01 29 A8 02 00 00 10 14 01 29 A8 02 00 00 
{138} normal block at 0x000002A829011590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{137} normal block at 0x000002A829007610, 16 bytes long.
 Data: <&#176;{ )&#168;           > B0 7B 01 29 A8 02 00 00 00 00 00 00 00 00 00 00 
{136} normal block at 0x000002A829017BB0, 40 bytes long.
 Data: < v )&#168;      )&#168;   > 10 76 00 29 A8 02 00 00 90 15 01 29 A8 02 00 00 
{115} normal block at 0x000002A8290073E0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{114} normal block at 0x000002A829007F20, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{113} normal block at 0x000002A829007ED0, 16 bytes long.
 Data: <&#248;W~ &#246;           > F8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{112} normal block at 0x000002A829007CF0, 16 bytes long.
 Data: <&#216;W~ &#246;           > D8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{111} normal block at 0x000002A829007CA0, 16 bytes long.
 Data: <P ~ &#246;           > 50 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{110} normal block at 0x000002A829007390, 16 bytes long.
 Data: <0 ~ &#246;           > 30 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x000002A829008060, 16 bytes long.
 Data: <&#224; ~ &#246;           > E0 02 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{108} normal block at 0x000002A8290077F0, 16 bytes long.
 Data: <  ~ &#246;           > 10 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x000002A829007AC0, 16 bytes long.
 Data: <p ~ &#246;           > 70 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000002A8290079D0, 16 bytes long.
 Data: < &#192;| &#246;           > 18 C0 7C 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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