Task 38677617

Name test_348-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2759_0
Workunit 31619483
Created 26 Oct 2026, 14:52:41 UTC
Sent 26 Oct 2026, 14:52:51 UTC
Report deadline 31 Oct 2026, 14:52:51 UTC
Received 26 Oct 2026, 17:04:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 4 sec
CPU time 29 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.46 MB
Peak swap size 9.93 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:31:03 (37008): wrapper (7.9.26016): starting
01:31:03 (37008): 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
01:31:05 (37008): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:31:05 (37008): 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 'D:\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 'D:\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
02:01:36 (37008): C:/Windows/system32/cmd.exe exited; CPU time 1799.500000
02:01:36 (37008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35027167 bytes.
Dumping objects ->
{3835578} normal block at 0x000002B5B84654C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x000002B5BA4D5F60, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x000002B5BA4D68C0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x000002B5BA4D6F20, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x000002B5BA4D6260, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x000002B5B8465450, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000002B5B84BE7B0, 140 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) : {3835489} normal block at 0x000002B5B845F4D0, 8 bytes long.
 Data: <  <&#184;&#181;   > 00 00 3C B8 B5 02 00 00 
{3834767} normal block at 0x000002B5B84BE6E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000002B5B845EDA0, 8 bytes long.
 Data: <`KF&#184;&#181;   > 60 4B 46 B8 B5 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B5B8456A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002B5B8458010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002B5B8466B90, 16 bytes long.
 Data: <&#216;sF&#184;&#181;           > D8 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002B5B8466D70, 16 bytes long.
 Data: <&#176;sF&#184;&#181;           > B0 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B5B8460CF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002B5B8466370, 16 bytes long.
 Data: < sF&#184;&#181;           > 88 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B5B8466820, 16 bytes long.
 Data: <`sF&#184;&#181;           > 60 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B5B8466320, 16 bytes long.
 Data: <8sF&#184;&#181;           > 38 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B5B8466FA0, 16 bytes long.
 Data: < sF&#184;&#181;           > 10 73 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B5B84656F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002B5B84667D0, 16 bytes long.
 Data: <&#216;&#190;D&#184;&#181;           > D8 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B5B8461050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002B5B8466F50, 16 bytes long.
 Data: <&#176;&#190;D&#184;&#181;           > B0 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B5B8466690, 16 bytes long.
 Data: < &#190;D&#184;&#181;           > 88 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B5B8466AF0, 16 bytes long.
 Data: <`&#190;D&#184;&#181;           > 60 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B5B8466AA0, 16 bytes long.
 Data: <8&#190;D&#184;&#181;           > 38 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B5B8466500, 16 bytes long.
 Data: < &#190;D&#184;&#181;           > 10 BE 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B5B8466E60, 16 bytes long.
 Data: < &#189;D&#184;&#181;           > E8 BD 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B5B84612F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002B5B8466A50, 16 bytes long.
 Data: <&#192;&#189;D&#184;&#181;           > C0 BD 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B5B844BDC0, 320 bytes long.
 Data: <PjF&#184;&#181;     F&#184;&#181;   > 50 6A 46 B8 B5 02 00 00 F0 12 46 B8 B5 02 00 00 
{279} normal block at 0x000002B5B8466780, 16 bytes long.
 Data: < rF&#184;&#181;           > F0 72 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B5B8466A00, 16 bytes long.
 Data: <&#200;rF&#184;&#181;           > C8 72 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B5B8461950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002B5B84669B0, 16 bytes long.
 Data: < rF&#184;&#181;           > A0 72 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B5B8460D50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002B5B8466960, 16 bytes long.
 Data: < qF&#184;&#181;           > E8 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B5B84660F0, 16 bytes long.
 Data: <&#192;qF&#184;&#181;           > C0 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B5B8466910, 16 bytes long.
 Data: < qF&#184;&#181;           > 98 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B5B84665F0, 16 bytes long.
 Data: <pqF&#184;&#181;           > 70 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B5B8466870, 16 bytes long.
 Data: <HqF&#184;&#181;           > 48 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B5B84662D0, 16 bytes long.
 Data: < qF&#184;&#181;           > 20 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B5B8466410, 16 bytes long.
 Data: < VF&#184;&#181;           > 80 56 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B5B8465680, 40 bytes long.
 Data: < dF&#184;&#181;   PTF&#184;&#181;   > 10 64 46 B8 B5 02 00 00 50 54 46 B8 B5 02 00 00 
{265} normal block at 0x000002B5B8466DC0, 16 bytes long.
 Data: < qF&#184;&#181;           > 00 71 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B5B84668C0, 16 bytes long.
 Data: <&#216;pF&#184;&#181;           > D8 70 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B5B84610B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002B5B8466B40, 16 bytes long.
 Data: <&#176;pF&#184;&#181;           > B0 70 46 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B5B84670B0, 992 bytes long.
 Data: <@kF&#184;&#181;   &#176; F&#184;&#181;   > 40 6B 46 B8 B5 02 00 00 B0 10 46 B8 B5 02 00 00 
{97} normal block at 0x000002B5B84611D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002B5B845F610, 16 bytes long.
 Data: <P&#203;D&#184;&#181;           > 50 CB 44 B8 B5 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002B5B844CB50, 40 bytes long.
 Data: <  E&#184;&#181;   &#208; F&#184;&#181;   > 10 F6 45 B8 B5 02 00 00 D0 11 46 B8 B5 02 00 00 
{72} normal block at 0x000002B5B845F1B0, 16 bytes long.
 Data: <   &#215;            > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B5B845F0C0, 16 bytes long.
 Data: <@  &#215;            > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B5B845EB20, 16 bytes long.
 Data: < W &#215;            > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B5B845ECB0, 16 bytes long.
 Data: <&#216;W &#215;            > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B5B845EB70, 16 bytes long.
 Data: <P  &#215;            > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B5B845F660, 16 bytes long.
 Data: <0  &#215;            > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B5B845F840, 16 bytes long.
 Data: <   &#215;            > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B5B845F070, 16 bytes long.
 Data: <   &#215;            > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B5B845F020, 16 bytes long.
 Data: <p  &#215;            > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B5B845F520, 16 bytes long.
 Data: < &#192; &#215;            > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra