Task 38695214

Name test_844-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6907_0
Workunit 31635924
Created 31 Oct 2026, 7:54:54 UTC
Sent 31 Oct 2026, 7:54:54 UTC
Report deadline 5 Nov 2026, 7:54:54 UTC
Received 31 Oct 2026, 9:37:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618585
Run time 33 min 21 sec
CPU time 27 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.96 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:04:12 (15908): wrapper (7.9.26016): starting
10:04:12 (15908): 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
10:04:14 (15908): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:04:14 (15908): 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\34\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\34\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
10:36:11 (15908): C:/Windows/system32/cmd.exe exited; CPU time 1672.671875
10:36:11 (15908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 35031721 bytes.
Dumping objects ->
{3835645} normal block at 0x0000026E6E58DB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835634} normal block at 0x0000026E6C904F10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x0000026E6C904EA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835612} normal block at 0x0000026E6C904E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x0000026E6C904DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835570} normal block at 0x0000026E6E5D8E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x0000026E6C96A080, 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) : {3835556} normal block at 0x0000026E6C8FEA60, 8 bytes long.
 Data: <  &#139;ln   > 00 00 8B 6C 6E 02 00 00 
{3834734} normal block at 0x0000026E6C96A630, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000026E6C8FEA10, 8 bytes long.
 Data: <@Fcnn   > 40 46 63 6E 6E 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000026E6C9011B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026E6C8F6BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000026E6C905600, 16 bytes long.
 Data: < g ln           > 08 67 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026E6C9056F0, 16 bytes long.
 Data: <&#224;f ln           > E0 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026E6C900240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000026E6C905BF0, 16 bytes long.
 Data: <&#184;f ln           > B8 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026E6C9054C0, 16 bytes long.
 Data: < f ln           > 90 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026E6C905D80, 16 bytes long.
 Data: <hf ln           > 68 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026E6C905C90, 16 bytes long.
 Data: <@f ln           > 40 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026E6C9048F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000026E6C906140, 16 bytes long.
 Data: <&#168;  ln           > A8 90 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026E6C9003C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000026E6C905AB0, 16 bytes long.
 Data: <   ln           > 80 90 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026E6C9055B0, 16 bytes long.
 Data: <X  ln           > 58 90 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026E6C905880, 16 bytes long.
 Data: <0  ln           > 30 90 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026E6C905BA0, 16 bytes long.
 Data: <   ln           > 08 90 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026E6C905970, 16 bytes long.
 Data: <&#224;  ln           > E0 8F 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026E6C9056A0, 16 bytes long.
 Data: <&#184;  ln           > B8 8F 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026E6C8FFE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000026E6C905E20, 16 bytes long.
 Data: <   ln           > 90 8F 8F 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026E6C8F8F90, 320 bytes long.
 Data: < ^ ln    &#254; ln   > 20 5E 90 6C 6E 02 00 00 20 FE 8F 6C 6E 02 00 00 
{278} normal block at 0x0000026E6C9060F0, 16 bytes long.
 Data: < f ln           > 20 66 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026E6C9057E0, 16 bytes long.
 Data: <&#248;e ln           > F8 65 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026E6C8FFDC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000026E6C906050, 16 bytes long.
 Data: <&#208;e ln           > D0 65 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026E6C8FFA00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000026E6C905510, 16 bytes long.
 Data: < e ln           > 18 65 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026E6C905EC0, 16 bytes long.
 Data: <&#240;d ln           > F0 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026E6C905A60, 16 bytes long.
 Data: <&#200;d ln           > C8 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026E6C9059C0, 16 bytes long.
 Data: <&#160;d ln           > A0 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026E6C905A10, 16 bytes long.
 Data: <xd ln           > 78 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026E6C905920, 16 bytes long.
 Data: <Pd ln           > 50 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026E6C9058D0, 16 bytes long.
 Data: <&#176;J ln           > B0 4A 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026E6C904AB0, 40 bytes long.
 Data: <&#208;X ln    &#142;]nn   > D0 58 90 6C 6E 02 00 00 80 8E 5D 6E 6E 02 00 00 
{264} normal block at 0x0000026E6C9061E0, 16 bytes long.
 Data: <0d ln           > 30 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026E6C905790, 16 bytes long.
 Data: < d ln           > 08 64 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026E6C900120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000026E6C905C40, 16 bytes long.
 Data: <&#224;c ln           > E0 63 90 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026E6C9063E0, 992 bytes long.
 Data: <@\ ln      ln   > 40 5C 90 6C 6E 02 00 00 20 01 90 6C 6E 02 00 00 
{96} normal block at 0x0000026E6C8FFB20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000026E6C8FE9C0, 16 bytes long.
 Data: <&#160;&#212;&#142;ln           > A0 D4 8E 6C 6E 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000026E6C8ED4A0, 40 bytes long.
 Data: <&#192;&#233; ln    &#251; ln   > C0 E9 8F 6C 6E 02 00 00 20 FB 8F 6C 6E 02 00 00 
{73} normal block at 0x0000026E6C8FE920, 16 bytes long.
 Data: < &#234;&#230;&#212;&#246;           > 80 EA E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026E6C8FECE0, 16 bytes long.
 Data: <@&#233;&#230;&#212;&#246;           > 40 E9 E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026E6C8FF460, 16 bytes long.
 Data: <&#248;W&#227;&#212;&#246;           > F8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026E6C8FEC90, 16 bytes long.
 Data: <&#216;W&#227;&#212;&#246;           > D8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026E6C8FEB50, 16 bytes long.
 Data: <P &#227;&#212;&#246;           > 50 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026E6C8FEC40, 16 bytes long.
 Data: <0 &#227;&#212;&#246;           > 30 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026E6C8FF820, 16 bytes long.
 Data: <&#224; &#227;&#212;&#246;           > E0 02 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026E6C8FEE70, 16 bytes long.
 Data: <  &#227;&#212;&#246;           > 10 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026E6C8FF000, 16 bytes long.
 Data: <p &#227;&#212;&#246;           > 70 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026E6C8FEFB0, 16 bytes long.
 Data: < &#192;&#225;&#212;&#246;           > 18 C0 E1 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra