Task 38688385

Name test_678-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2907_0
Workunit 31629738
Created 28 Oct 2026, 13:34:27 UTC
Sent 28 Oct 2026, 13:34:28 UTC
Report deadline 2 Nov 2026, 13:34:28 UTC
Received 28 Oct 2026, 15:01:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 44 min 44 sec
CPU time 34 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.29 MB
Peak swap size 5.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:17:38 (4544): wrapper (7.9.26016): starting
10:17:38 (4544): 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
10:17:45 (4544): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:17:45 (4544): 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\Boinc2\slots\1\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\Boinc2\slots\1\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
11:00:49 (4544): C:/Windows/system32/cmd.exe exited; CPU time 2043.562500
11:00:49 (4544): 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: 22253337 bytes.
Dumping objects ->
{3835333} normal block at 0x0000026A4369A230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x0000026A4369A7E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x0000026A4369A770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x0000026A4369A700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000026A4369AD90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x0000026A436CAA40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000026A4372CF00, 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) : {3835243} normal block at 0x0000026A419E5E60, 8 bytes long.
 Data: <  DCj   > 00 00 44 43 6A 02 00 00 
{3834581} normal block at 0x0000026A4372CC40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000026A419E64A0, 8 bytes long.
 Data: < W~Cj   > 00 57 7E 43 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000026A419EF920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026A419EBE80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000026A419F1680, 16 bytes long.
 Data: <(.&#159;Aj           > 28 2E 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026A419F1220, 16 bytes long.
 Data: < .&#159;Aj           > 00 2E 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026A419EC530, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000026A419F1450, 16 bytes long.
 Data: <&#216;-&#159;Aj           > D8 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026A419F0FA0, 16 bytes long.
 Data: <&#176;-&#159;Aj           > B0 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026A419F0910, 16 bytes long.
 Data: < -&#159;Aj           > 88 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026A419F0730, 16 bytes long.
 Data: <`-&#159;Aj           > 60 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026A419EAAA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000026A419F14F0, 16 bytes long.
 Data: <&#232;\ Aj           > E8 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026A419EC4D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000026A419F0DC0, 16 bytes long.
 Data: <&#192;\ Aj           > C0 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026A419F1590, 16 bytes long.
 Data: < \ Aj           > 98 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026A419F11D0, 16 bytes long.
 Data: <p\ Aj           > 70 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026A419F0D70, 16 bytes long.
 Data: <H\ Aj           > 48 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026A419F0AA0, 16 bytes long.
 Data: < \ Aj           > 20 5C 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026A419F0D20, 16 bytes long.
 Data: <&#248;[ Aj           > F8 5B 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026A419ECEF0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000026A419F1180, 16 bytes long.
 Data: <&#208;[ Aj           > D0 5B 9D 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026A419D5BD0, 320 bytes long.
 Data: <  &#159;Aj   &#240;&#206;&#158;Aj   > 80 11 9F 41 6A 02 00 00 F0 CE 9E 41 6A 02 00 00 
{270} normal block at 0x0000026A419F13B0, 16 bytes long.
 Data: <@-&#159;Aj           > 40 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026A419F0C80, 16 bytes long.
 Data: < -&#159;Aj           > 18 2D 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026A419EC410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000026A419F1130, 16 bytes long.
 Data: <&#240;,&#159;Aj           > F0 2C 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026A419ECA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000026A419F1040, 16 bytes long.
 Data: <8,&#159;Aj           > 38 2C 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026A419F1400, 16 bytes long.
 Data: < ,&#159;Aj           > 10 2C 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026A419F1090, 16 bytes long.
 Data: <&#232;+&#159;Aj           > E8 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026A419F1360, 16 bytes long.
 Data: <&#192;+&#159;Aj           > C0 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026A419F1310, 16 bytes long.
 Data: < +&#159;Aj           > 98 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026A419F0870, 16 bytes long.
 Data: <p+&#159;Aj           > 70 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026A419F1540, 16 bytes long.
 Data: <p&#175;&#158;Aj           > 70 AF 9E 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026A419EAF70, 40 bytes long.
 Data: <@ &#159;Aj   @&#170;lCj   > 40 15 9F 41 6A 02 00 00 40 AA 6C 43 6A 02 00 00 
{256} normal block at 0x0000026A419F0FF0, 16 bytes long.
 Data: <P+&#159;Aj           > 50 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026A419F0F00, 16 bytes long.
 Data: <(+&#159;Aj           > 28 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026A419EC0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000026A419F1630, 16 bytes long.
 Data: < +&#159;Aj           > 00 2B 9F 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026A419F2B00, 992 bytes long.
 Data: <0 &#159;Aj   &#176;&#192;&#158;Aj   > 30 16 9F 41 6A 02 00 00 B0 C0 9E 41 6A 02 00 00 
{88} normal block at 0x0000026A419ECD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000026A419E5CD0, 16 bytes long.
 Data: <@&#173;&#158;Aj           > 40 AD 9E 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000026A419EAD40, 40 bytes long.
 Data: <&#208;\&#158;Aj   p&#205;&#158;Aj   > D0 5C 9E 41 6A 02 00 00 70 CD 9E 41 6A 02 00 00 
{65} normal block at 0x0000026A419E6180, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026A419E6590, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026A419E6090, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026A419E6540, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026A419E6950, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026A419E60E0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026A419E62C0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026A419E5C30, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026A419E6A40, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026A419E6270, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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