Task 38661136

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7593_2
Workunit 31603778
Created 24 Oct 2026, 15:16:37 UTC
Sent 24 Oct 2026, 15:21:36 UTC
Report deadline 29 Oct 2026, 15:21:36 UTC
Received 24 Oct 2026, 16:04:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 598225
Run time 40 min 59 sec
CPU time 38 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.96 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:23:16 (161024): wrapper (7.9.26016): starting
11:23:16 (161024): 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
11:23:17 (161024): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:23:17 (161024): 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\11\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\11\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
12:03:51 (161024): C:/Windows/system32/cmd.exe exited; CPU time 2311.328125
12:03:51 (161024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 42907799 bytes.
Dumping objects ->
{3835319} normal block at 0x0000020F4EDBD500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000020F4D1051C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x0000020F4D105070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x0000020F4D105000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000020F4D104EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x0000020F4EE08210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000020F4D0FB690, 201 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) : {3835230} normal block at 0x0000020F4D0FDB20, 8 bytes long.
 Data: <  oM    > 00 00 6F 4D 0F 02 00 00 
{3834586} normal block at 0x0000020F4D0FAD00, 201 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000020F4D0FD580, 8 bytes long.
 Data: <&#224;H&#233;N    > E0 48 E9 4E 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020F4D101D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020F4D0F6AD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020F4D105D90, 16 bytes long.
 Data: <&#184;l M            > B8 6C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020F4D106650, 16 bytes long.
 Data: < l M            > 90 6C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020F4D0FF360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020F4D106600, 16 bytes long.
 Data: <hl M            > 68 6C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020F4D105D40, 16 bytes long.
 Data: <@l M            > 40 6C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F4D106010, 16 bytes long.
 Data: < l M            > 18 6C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020F4D1065B0, 16 bytes long.
 Data: <&#240;k M            > F0 6B 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F4D1050E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020F4D105CF0, 16 bytes long.
 Data: <(&#147; M            > 28 93 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F4D0FF420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020F4D105CA0, 16 bytes long.
 Data: < &#147; M            > 00 93 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F4D105C00, 16 bytes long.
 Data: <&#216;&#146; M            > D8 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F4D105FC0, 16 bytes long.
 Data: <&#176;&#146; M            > B0 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F4D105B60, 16 bytes long.
 Data: < &#146; M            > 88 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F4D1060B0, 16 bytes long.
 Data: <`&#146; M            > 60 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F4D105B10, 16 bytes long.
 Data: <8&#146; M            > 38 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F4D0FFD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020F4D105AC0, 16 bytes long.
 Data: < &#146; M            > 10 92 0F 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020F4D0F9210, 320 bytes long.
 Data: <&#192;Z M     &#253; M    > C0 5A 10 4D 0F 02 00 00 80 FD 0F 4D 0F 02 00 00 
{276} normal block at 0x0000020F4D105A70, 16 bytes long.
 Data: <&#208;k M            > D0 6B 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F4D105A20, 16 bytes long.
 Data: <&#168;k M            > A8 6B 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F4D0FF8A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020F4D106100, 16 bytes long.
 Data: < k M            > 80 6B 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F4D0FF9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020F4D1059D0, 16 bytes long.
 Data: <&#200;j M            > C8 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020F4D1063D0, 16 bytes long.
 Data: <&#160;j M            > A0 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F4D106510, 16 bytes long.
 Data: <xj M            > 78 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F4D105F70, 16 bytes long.
 Data: <Pj M            > 50 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F4D105F20, 16 bytes long.
 Data: <(j M            > 28 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F4D106150, 16 bytes long.
 Data: < j M            > 00 6A 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F4D106920, 16 bytes long.
 Data: <&#240;L M            > F0 4C 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F4D104CF0, 40 bytes long.
 Data: < i M     &#130;&#224;N    > 20 69 10 4D 0F 02 00 00 10 82 E0 4E 0F 02 00 00 
{262} normal block at 0x0000020F4D106560, 16 bytes long.
 Data: <&#224;i M            > E0 69 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F4D105BB0, 16 bytes long.
 Data: <&#184;i M            > B8 69 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F4D0FFC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020F4D106290, 16 bytes long.
 Data: < i M            > 90 69 10 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F4D106990, 992 bytes long.
 Data: < b M     &#252; M    > 90 62 10 4D 0F 02 00 00 00 FC 0F 4D 0F 02 00 00 
{94} normal block at 0x0000020F4D0FFAE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020F4D0FDC60, 16 bytes long.
 Data: < &#201; M            > 00 C9 0E 4D 0F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020F4D0EC900, 40 bytes long.
 Data: <`&#220; M    &#224;&#250; M    > 60 DC 0F 4D 0F 02 00 00 E0 FA 0F 4D 0F 02 00 00 
{71} normal block at 0x0000020F4D0FDBC0, 16 bytes long.
 Data: < &#234;&#246;&#246;&#246;           > 80 EA F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020F4D0FDE40, 16 bytes long.
 Data: <@&#233;&#246;&#246;&#246;           > 40 E9 F6 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020F4D0FDA80, 16 bytes long.
 Data: <&#248;W&#243;&#246;&#246;           > F8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020F4D0FDAD0, 16 bytes long.
 Data: <&#216;W&#243;&#246;&#246;           > D8 57 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F4D0FDDF0, 16 bytes long.
 Data: <P &#243;&#246;&#246;           > 50 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F4D0FE250, 16 bytes long.
 Data: <0 &#243;&#246;&#246;           > 30 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F4D0FD9E0, 16 bytes long.
 Data: <&#224; &#243;&#246;&#246;           > E0 02 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F4D0FDB70, 16 bytes long.
 Data: <  &#243;&#246;&#246;           > 10 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F4D0FDDA0, 16 bytes long.
 Data: <p &#243;&#246;&#246;           > 70 04 F3 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F4D0FD670, 16 bytes long.
 Data: < &#192;&#241;&#246;&#246;           > 18 C0 F1 F6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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