Task 38684336

Name test_494-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5420_1
Workunit 31625831
Created 27 Oct 2026, 15:53:50 UTC
Sent 27 Oct 2026, 15:53:57 UTC
Report deadline 1 Nov 2026, 15:53:57 UTC
Received 27 Oct 2026, 16:22:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 27 min 55 sec
CPU time 22 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.12 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:55:18 (55532): wrapper (7.9.26016): starting
11:55:18 (55532): 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
11:55:20 (55532): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:55:20 (55532): 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\8\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\8\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
12:22:09 (55532): C:/Windows/system32/cmd.exe exited; CPU time 1366.093750
12:22:09 (55532): 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: 44087363 bytes.
Dumping objects ->
{3835602} normal block at 0x00000203253FEA20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x00000203253FE0F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x00000203253FE860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x0000020323837DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000020323837D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x00000203255CE0E0, 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) : {3835514} normal block at 0x000002032382D850, 8 bytes long.
 Data: <   #    > 00 00 80 23 03 02 00 00 
{3833973} normal block at 0x000002032382E2A0, 8 bytes long.
 Data: <&#192;&#242;&#133;#    > C0 F2 85 23 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002032383ACA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000203238298D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000020323838020, 16 bytes long.
 Data: <&#216;F&#131;#            > D8 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020323837FD0, 16 bytes long.
 Data: <&#176;F&#131;#            > B0 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020323831650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000020323838ED0, 16 bytes long.
 Data: < F&#131;#            > 88 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000203238381B0, 16 bytes long.
 Data: <`F&#131;#            > 60 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020323838610, 16 bytes long.
 Data: <8F&#131;#            > 38 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020323838E80, 16 bytes long.
 Data: < F&#131;#            > 10 46 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203238379F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x0000020323838700, 16 bytes long.
 Data: <x&#199; #            > 78 C7 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000203238315F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000020323838DE0, 16 bytes long.
 Data: <P&#199; #            > 50 C7 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020323838480, 16 bytes long.
 Data: <(&#199; #            > 28 C7 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020323838520, 16 bytes long.
 Data: < &#199; #            > 00 C7 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020323838930, 16 bytes long.
 Data: <&#216;&#198; #            > D8 C6 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203238388E0, 16 bytes long.
 Data: <&#176;&#198; #            > B0 C6 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020323838E30, 16 bytes long.
 Data: < &#198; #            > 88 C6 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020323831950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000203238387A0, 16 bytes long.
 Data: <`&#198; #            > 60 C6 81 23 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002032381C660, 320 bytes long.
 Data: <&#160;&#135;&#131;#    P &#131;#    > A0 87 83 23 03 02 00 00 50 19 83 23 03 02 00 00 
{282} normal block at 0x0000020323838570, 16 bytes long.
 Data: <&#240;E&#131;#            > F0 45 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020323838890, 16 bytes long.
 Data: <&#200;E&#131;#            > C8 45 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203238322B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000020323838430, 16 bytes long.
 Data: <&#160;E&#131;#            > A0 45 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020323831710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000020323838A70, 16 bytes long.
 Data: <&#232;D&#131;#            > E8 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020323838A20, 16 bytes long.
 Data: <&#192;D&#131;#            > C0 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203238382A0, 16 bytes long.
 Data: < D&#131;#            > 98 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020323838D90, 16 bytes long.
 Data: <pD&#131;#            > 70 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020323838F20, 16 bytes long.
 Data: <HD&#131;#            > 48 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000203238385C0, 16 bytes long.
 Data: < D&#131;#            > 20 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000203238387F0, 16 bytes long.
 Data: <P~&#131;#            > 50 7E 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020323837E50, 40 bytes long.
 Data: <&#240;&#135;&#131;#    &#224;&#224;\%    > F0 87 83 23 03 02 00 00 E0 E0 5C 25 03 02 00 00 
{268} normal block at 0x0000020323838390, 16 bytes long.
 Data: < D&#131;#            > 00 44 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020323838250, 16 bytes long.
 Data: <&#216;C&#131;#            > D8 43 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020323831E90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000020323838840, 16 bytes long.
 Data: <&#176;C&#131;#            > B0 43 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000203238343B0, 992 bytes long.
 Data: <@ &#131;#      &#131;#    > 40 88 83 23 03 02 00 00 90 1E 83 23 03 02 00 00 
{100} normal block at 0x00000203238318F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000002032382D620, 16 bytes long.
 Data: < y&#131;#            > 80 79 83 23 03 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000020323837980, 40 bytes long.
 Data: < &#214;&#130;#    &#240; &#131;#    > 20 D6 82 23 03 02 00 00 F0 18 83 23 03 02 00 00 
{77} normal block at 0x000002032382D800, 16 bytes long.
 Data: < &#234;d]&#246;           > 80 EA 64 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002032382DC60, 16 bytes long.
 Data: <@&#233;d]&#246;           > 40 E9 64 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002032382E430, 16 bytes long.
 Data: <&#248;Wa]&#246;           > F8 57 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002032382DA30, 16 bytes long.
 Data: <&#216;Wa]&#246;           > D8 57 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002032382DD50, 16 bytes long.
 Data: <P a]&#246;           > 50 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002032382D5D0, 16 bytes long.
 Data: <0 a]&#246;           > 30 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002032382E3E0, 16 bytes long.
 Data: <&#224; a]&#246;           > E0 02 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002032382DC10, 16 bytes long.
 Data: <  a]&#246;           > 10 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002032382D9E0, 16 bytes long.
 Data: <p a]&#246;           > 70 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002032382DB20, 16 bytes long.
 Data: < &#192;_]&#246;           > 18 C0 5F 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra