Task 38685210

Name test_727-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1308_0
Workunit 31626687
Created 27 Oct 2026, 20:00:30 UTC
Sent 27 Oct 2026, 20:00:30 UTC
Report deadline 1 Nov 2026, 20:00:30 UTC
Received 27 Oct 2026, 20:42:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652497
Run time 21 min 3 sec
CPU time 16 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.96 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:21:39 (28332): wrapper (7.9.26016): starting
15:21:39 (28332): 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
15:21:40 (28332): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:21:40 (28332): 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
15:41:54 (28332): C:/Windows/system32/cmd.exe exited; CPU time 960.250000
15:41:54 (28332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 22677747 bytes.
Dumping objects ->
{3835193} normal block at 0x0000020B837DD880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000020B837DCBD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x0000020B837DD8F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x0000020B837DD7A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000020B837DD570, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000020B8561C730, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835105} normal block at 0x0000020B837CD030, 8 bytes long.
 Data: <  z&#131;    > 00 00 7A 83 0B 02 00 00 
{3833951} normal block at 0x0000020B837CC310, 8 bytes long.
 Data: <@&#234;R&#133;    > 40 EA 52 85 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020B837CDB40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B837C9F10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000020B837DE7B0, 16 bytes long.
 Data: < &#238;}&#131;            > 18 EE 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B837DE710, 16 bytes long.
 Data: <&#240;&#237;}&#131;            > F0 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B837DA550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000020B837DE3F0, 16 bytes long.
 Data: <&#200;&#237;}&#131;            > C8 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B837DEA30, 16 bytes long.
 Data: <&#160;&#237;}&#131;            > A0 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B837DE080, 16 bytes long.
 Data: <x&#237;}&#131;            > 78 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B837DE670, 16 bytes long.
 Data: <P&#237;}&#131;            > 50 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B837D9C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000020B837DE9E0, 16 bytes long.
 Data: <8&#186;|&#131;            > 38 BA 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B837DA910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000020B837DE030, 16 bytes long.
 Data: < &#186;|&#131;            > 10 BA 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B837DE620, 16 bytes long.
 Data: <&#232;&#185;|&#131;            > E8 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B837DE5D0, 16 bytes long.
 Data: <&#192;&#185;|&#131;            > C0 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B837DE2B0, 16 bytes long.
 Data: < &#185;|&#131;            > 98 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B837DE3A0, 16 bytes long.
 Data: <p&#185;|&#131;            > 70 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B837DDF90, 16 bytes long.
 Data: <H&#185;|&#131;            > 48 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B837DA8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000020B837DE530, 16 bytes long.
 Data: < &#185;|&#131;            > 20 B9 7C 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B837CB920, 320 bytes long.
 Data: <0&#229;}&#131;    &#176;&#168;}&#131;    > 30 E5 7D 83 0B 02 00 00 B0 A8 7D 83 0B 02 00 00 
{271} normal block at 0x0000020B837DDF40, 16 bytes long.
 Data: <0&#237;}&#131;            > 30 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B837DDE00, 16 bytes long.
 Data: < &#237;}&#131;            > 08 ED 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B837DAB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000020B837DDBD0, 16 bytes long.
 Data: <&#224;&#236;}&#131;            > E0 EC 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B837DAA90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000020B837DE350, 16 bytes long.
 Data: <(&#236;}&#131;            > 28 EC 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B837DDEF0, 16 bytes long.
 Data: < &#236;}&#131;            > 00 EC 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B837DE6C0, 16 bytes long.
 Data: <&#216;&#235;}&#131;            > D8 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B837DE260, 16 bytes long.
 Data: <&#176;&#235;}&#131;            > B0 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B837DDDB0, 16 bytes long.
 Data: < &#235;}&#131;            > 88 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B837DE120, 16 bytes long.
 Data: <`&#235;}&#131;            > 60 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B837DDCC0, 16 bytes long.
 Data: <&#176; }&#131;            > B0 9D 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B837D9DB0, 40 bytes long.
 Data: <&#192;&#220;}&#131;    0&#199;a&#133;    > C0 DC 7D 83 0B 02 00 00 30 C7 61 85 0B 02 00 00 
{257} normal block at 0x0000020B837DDFE0, 16 bytes long.
 Data: <@&#235;}&#131;            > 40 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020B837DE990, 16 bytes long.
 Data: < &#235;}&#131;            > 18 EB 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020B837DA790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000020B837DE170, 16 bytes long.
 Data: <&#240;&#234;}&#131;            > F0 EA 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020B837DEAF0, 992 bytes long.
 Data: <p&#225;}&#131;     &#167;}&#131;    > 70 E1 7D 83 0B 02 00 00 90 A7 7D 83 0B 02 00 00 
{89} normal block at 0x0000020B837DAA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000020B837CD080, 16 bytes long.
 Data: < &#158;}&#131;            > 20 9E 7D 83 0B 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020B837D9E20, 40 bytes long.
 Data: < &#208;|&#131;    0&#170;}&#131;    > 80 D0 7C 83 0B 02 00 00 30 AA 7D 83 0B 02 00 00 
{66} normal block at 0x0000020B837CC6D0, 16 bytes long.
 Data: < &#234;/&#232;&#246;           > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B837CC4A0, 16 bytes long.
 Data: <@&#233;/&#232;&#246;           > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B837CD210, 16 bytes long.
 Data: <&#248;W,&#232;&#246;           > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B837CCA40, 16 bytes long.
 Data: <&#216;W,&#232;&#246;           > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B837CC680, 16 bytes long.
 Data: <P ,&#232;&#246;           > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B837CCE00, 16 bytes long.
 Data: <0 ,&#232;&#246;           > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B837CCAE0, 16 bytes long.
 Data: <&#224; ,&#232;&#246;           > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020B837CC810, 16 bytes long.
 Data: <  ,&#232;&#246;           > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020B837CCDB0, 16 bytes long.
 Data: <p ,&#232;&#246;           > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020B837CCFE0, 16 bytes long.
 Data: < &#192;*&#232;&#246;           > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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