Task 38685804

Name test_541-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8000_0
Workunit 31627259
Created 27 Oct 2026, 23:04:05 UTC
Sent 27 Oct 2026, 23:04:08 UTC
Report deadline 1 Nov 2026, 23:04:08 UTC
Received 28 Oct 2026, 1:45:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 36 min 23 sec
CPU time 36 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.20 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:08:25 (48232): wrapper (7.9.26016): starting
02:08:25 (48232): 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
02:08:27 (48232): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:08:27 (48232): 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\5\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\5\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
02:44:39 (48232): C:/Windows/system32/cmd.exe exited; CPU time 2183.296875
02:44:39 (48232): 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: 41230285 bytes.
Dumping objects ->
{3835277} normal block at 0x0000010D5EF3C6D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000010D5EF3C900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000010D5EF3C7B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000010D5EF3CDD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000010D5D1E4730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000010D5EF8A840, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000010D5EF9E7A0, 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) : {3835188} normal block at 0x0000010D5D1DE8F0, 8 bytes long.
 Data: <  &#132;]    > 00 00 84 5D 0D 01 00 00 
{3834564} normal block at 0x0000010D5EF9E640, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000010D5D1DEBC0, 8 bytes long.
 Data: <&#160;1&#254;^    > A0 31 FE 5E 0D 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000010D5D1E14F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000010D5D1D61F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000010D5D1E6310, 16 bytes long.
 Data: <&#248;f ]            > F8 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000010D5D1E5D20, 16 bytes long.
 Data: <&#208;f ]            > D0 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000010D5D1E0560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000010D5D1E5C30, 16 bytes long.
 Data: <&#168;f ]            > A8 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000010D5D1E62C0, 16 bytes long.
 Data: < f ]            > 80 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000010D5D1E6220, 16 bytes long.
 Data: <Xf ]            > 58 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000010D5D1E6360, 16 bytes long.
 Data: <0f ]            > 30 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000010D5D1E4C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000010D5D1E5AA0, 16 bytes long.
 Data: <&#232;  ]            > E8 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000010D5D1DFA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000010D5D1E5CD0, 16 bytes long.
 Data: <&#192;  ]            > C0 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000010D5D1E5FA0, 16 bytes long.
 Data: <   ]            > 98 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000010D5D1E5A00, 16 bytes long.
 Data: <p  ]            > 70 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000010D5D1E5410, 16 bytes long.
 Data: <H  ]            > 48 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000010D5D1E6040, 16 bytes long.
 Data: <   ]            > 20 8F 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000010D5D1E61D0, 16 bytes long.
 Data: <&#248;&#142; ]            > F8 8E 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000010D5D1DF720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000010D5D1E5960, 16 bytes long.
 Data: <&#208;&#142; ]            > D0 8E 1D 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000010D5D1D8ED0, 320 bytes long.
 Data: <`Y ]     &#247; ]    > 60 59 1E 5D 0D 01 00 00 20 F7 1D 5D 0D 01 00 00 
{275} normal block at 0x0000010D5D1E5910, 16 bytes long.
 Data: < f ]            > 10 66 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000010D5D1E5AF0, 16 bytes long.
 Data: <&#232;e ]            > E8 65 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000010D5D1E0500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000010D5D1E55A0, 16 bytes long.
 Data: <&#192;e ]            > C0 65 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000010D5D1DFE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000010D5D1E59B0, 16 bytes long.
 Data: < e ]            > 08 65 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000010D5D1E5870, 16 bytes long.
 Data: <&#224;d ]            > E0 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000010D5D1E5820, 16 bytes long.
 Data: <&#184;d ]            > B8 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000010D5D1E58C0, 16 bytes long.
 Data: < d ]            > 90 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000010D5D1E5BE0, 16 bytes long.
 Data: <hd ]            > 68 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000010D5D1E5C80, 16 bytes long.
 Data: <@d ]            > 40 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000010D5D1E5B40, 16 bytes long.
 Data: <&#176;J ]            > B0 4A 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000010D5D1E4AB0, 40 bytes long.
 Data: <@[ ]    @&#168;&#248;^    > 40 5B 1E 5D 0D 01 00 00 40 A8 F8 5E 0D 01 00 00 
{261} normal block at 0x0000010D5D1E55F0, 16 bytes long.
 Data: < d ]            > 20 64 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000010D5D1E5460, 16 bytes long.
 Data: <&#248;c ]            > F8 63 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000010D5D1DFBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000010D5D1E5F00, 16 bytes long.
 Data: <&#208;c ]            > D0 63 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000010D5D1E63D0, 992 bytes long.
 Data: < _ ]    &#160;&#251; ]    > 00 5F 1E 5D 0D 01 00 00 A0 FB 1D 5D 0D 01 00 00 
{93} normal block at 0x0000010D5D1DFC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000010D5D1DF520, 16 bytes long.
 Data: <&#160;G ]            > A0 47 1E 5D 0D 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000010D5D1E47A0, 40 bytes long.
 Data: < &#245; ]     &#252; ]    > 20 F5 1D 5D 0D 01 00 00 00 FC 1D 5D 0D 01 00 00 
{70} normal block at 0x0000010D5D1DE710, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000010D5D1DEC60, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000010D5D1DEC10, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000010D5D1DF390, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000010D5D1DE8A0, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000010D5D1DE760, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000010D5D1DEDF0, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000010D5D1DE850, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000010D5D1DF480, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000010D5D1DEA30, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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