Task 38697606

Name test_483-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2863_0
Workunit 31638169
Created 1 Nov 2026, 18:09:52 UTC
Sent 1 Nov 2026, 18:09:55 UTC
Report deadline 6 Nov 2026, 18:09:55 UTC
Received 1 Nov 2026, 21:27:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648979
Run time 3 hours 5 min 2 sec
CPU time 3 hours 1 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,141.69 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.43 MB
Peak swap size 6.69 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:23:46 (23456): wrapper (7.9.26016): starting
19:23:46 (23456): 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
19:23:49 (23456): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:23:49 (23456): 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
22:27:24 (23456): C:/Windows/system32/cmd.exe exited; CPU time 10862.562500
22:27:24 (23456): 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: 181648063 bytes.
Dumping objects ->
{3835281} normal block at 0x000001783CF9D230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000001783CF9D310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001783B244EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x000001783B244B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001783B244AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x000001783CFEAC40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001783CFFF210, 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) : {3835192} normal block at 0x000001783B23F520, 8 bytes long.
 Data: <  &#208;<x   > 00 00 D0 3C 78 01 00 00 
{3834565} normal block at 0x000001783CFFE3A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001783B23F3E0, 8 bytes long.
 Data: < [ =x   > 00 5B 07 3D 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001783B240FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001783B2368F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001783B245F50, 16 bytes long.
 Data: <&#168;f$;x           > A8 66 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001783B245FF0, 16 bytes long.
 Data: < f$;x           > 80 66 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001783B240580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001783B246090, 16 bytes long.
 Data: <Xf$;x           > 58 66 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001783B2462C0, 16 bytes long.
 Data: <0f$;x           > 30 66 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001783B245550, 16 bytes long.
 Data: < f$;x           > 08 66 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001783B2453C0, 16 bytes long.
 Data: <&#224;e$;x           > E0 65 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001783B244CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001783B245FA0, 16 bytes long.
 Data: < &#231;#;x           > 98 E7 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001783B23FD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001783B2457D0, 16 bytes long.
 Data: <p&#231;#;x           > 70 E7 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001783B246270, 16 bytes long.
 Data: <H&#231;#;x           > 48 E7 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001783B245A50, 16 bytes long.
 Data: < &#231;#;x           > 20 E7 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001783B245500, 16 bytes long.
 Data: <&#248;&#230;#;x           > F8 E6 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001783B245960, 16 bytes long.
 Data: <&#208;&#230;#;x           > D0 E6 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001783B2458C0, 16 bytes long.
 Data: <&#168;&#230;#;x           > A8 E6 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001783B23FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001783B245410, 16 bytes long.
 Data: < &#230;#;x           > 80 E6 23 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001783B23E680, 320 bytes long.
 Data: < T$;x    &#255;#;x   > 10 54 24 3B 78 01 00 00 80 FF 23 3B 78 01 00 00 
{274} normal block at 0x000001783B246220, 16 bytes long.
 Data: <&#192;e$;x           > C0 65 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001783B2461D0, 16 bytes long.
 Data: < e$;x           > 98 65 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001783B23FDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001783B245B40, 16 bytes long.
 Data: <pe$;x           > 70 65 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001783B23FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001783B245AF0, 16 bytes long.
 Data: <&#184;d$;x           > B8 64 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001783B2454B0, 16 bytes long.
 Data: < d$;x           > 90 64 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001783B245640, 16 bytes long.
 Data: <hd$;x           > 68 64 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001783B246180, 16 bytes long.
 Data: <@d$;x           > 40 64 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001783B246130, 16 bytes long.
 Data: < d$;x           > 18 64 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001783B245E10, 16 bytes long.
 Data: <&#240;c$;x           > F0 63 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001783B245BE0, 16 bytes long.
 Data: <&#176;G$;x           > B0 47 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001783B2447B0, 40 bytes long.
 Data: <&#224;[$;x   @&#172;&#254;<x   > E0 5B 24 3B 78 01 00 00 40 AC FE 3C 78 01 00 00 
{260} normal block at 0x000001783B245F00, 16 bytes long.
 Data: <&#208;c$;x           > D0 63 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001783B245D20, 16 bytes long.
 Data: <&#168;c$;x           > A8 63 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001783B2402E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001783B2460E0, 16 bytes long.
 Data: < c$;x           > 80 63 24 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001783B246380, 992 bytes long.
 Data: <&#224;`$;x   &#224; $;x   > E0 60 24 3B 78 01 00 00 E0 02 24 3B 78 01 00 00 
{92} normal block at 0x000001783B23FC20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001783B23F070, 16 bytes long.
 Data: <&#240;&#229;";x           > F0 E5 22 3B 78 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001783B22E5F0, 40 bytes long.
 Data: <p&#240;#;x    &#252;#;x   > 70 F0 23 3B 78 01 00 00 20 FC 23 3B 78 01 00 00 
{69} normal block at 0x000001783B23EDA0, 16 bytes long.
 Data: < &#234;k&#236;&#246;           > 80 EA 6B EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001783B23F700, 16 bytes long.
 Data: <@&#233;k&#236;&#246;           > 40 E9 6B EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001783B23ECB0, 16 bytes long.
 Data: <&#248;Wh&#236;&#246;           > F8 57 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001783B23F020, 16 bytes long.
 Data: <&#216;Wh&#236;&#246;           > D8 57 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001783B23EA80, 16 bytes long.
 Data: <P h&#236;&#246;           > 50 04 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001783B23EF30, 16 bytes long.
 Data: <0 h&#236;&#246;           > 30 04 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001783B23F480, 16 bytes long.
 Data: <&#224; h&#236;&#246;           > E0 02 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001783B23EB70, 16 bytes long.
 Data: <  h&#236;&#246;           > 10 04 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001783B23E9E0, 16 bytes long.
 Data: <p h&#236;&#246;           > 70 04 68 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001783B23EB20, 16 bytes long.
 Data: < &#192;f&#236;&#246;           > 18 C0 66 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra