Task 38677480

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9650_0
Workunit 31619350
Created 26 Oct 2026, 14:28:55 UTC
Sent 26 Oct 2026, 14:29:00 UTC
Report deadline 31 Oct 2026, 14:29:00 UTC
Received 26 Oct 2026, 15:35:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 30 sec
CPU time 30 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.95 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:03:24 (38972): wrapper (7.9.26016): starting
11:03:24 (38972): 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
11:03:26 (38972): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:03:26 (38972): 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\31\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\31\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
11:34:43 (38972): C:/Windows/system32/cmd.exe exited; CPU time 1835.218750
11:34:43 (38972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 39488802 bytes.
Dumping objects ->
{3835291} normal block at 0x000002C424027240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000002C424027080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000002C4240275C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x000002C424027CC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002C4240277F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x000002C425DF5F60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000002C425E0C940, 85 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) : {3835202} normal block at 0x000002C424003FC0, 8 bytes long.
 Data: <  &#249;#&#196;   > 00 00 F9 23 C4 02 00 00 
{3834578} normal block at 0x000002C425E0C8A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002C424003E80, 8 bytes long.
 Data: <&#224;&#232;	$&#196;   > E0 E8 09 24 C4 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002C423FF8DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002C423FB8A00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002C424003F20, 16 bytes long.
 Data: <&#232;< $&#196;           > E8 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002C4240046A0, 16 bytes long.
 Data: <&#192;< $&#196;           > C0 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C423FFB7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002C424004600, 16 bytes long.
 Data: < < $&#196;           > 98 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C4240041F0, 16 bytes long.
 Data: <p< $&#196;           > 70 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C424004830, 16 bytes long.
 Data: <H< $&#196;           > 48 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C423FFFB00, 16 bytes long.
 Data: < < $&#196;           > 20 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C423FFE260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002C423FFF6F0, 16 bytes long.
 Data: <8&#216;&#255;#&#196;           > 38 D8 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C423FFBC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002C423FFF650, 16 bytes long.
 Data: < &#216;&#255;#&#196;           > 10 D8 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C423FFF5B0, 16 bytes long.
 Data: <&#232;&#215;&#255;#&#196;           > E8 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C423FFFAB0, 16 bytes long.
 Data: <&#192;&#215;&#255;#&#196;           > C0 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C423FFFBA0, 16 bytes long.
 Data: < &#215;&#255;#&#196;           > 98 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C423FFF7E0, 16 bytes long.
 Data: <p&#215;&#255;#&#196;           > 70 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C423FFF510, 16 bytes long.
 Data: <H&#215;&#255;#&#196;           > 48 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C423FFB770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002C423FFFE20, 16 bytes long.
 Data: < &#215;&#255;#&#196;           > 20 D7 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C423FFD720, 320 bytes long.
 Data: < &#254;&#255;#&#196;   p&#183;&#255;#&#196;   > 20 FE FF 23 C4 02 00 00 70 B7 FF 23 C4 02 00 00 
{281} normal block at 0x000002C423FFF4C0, 16 bytes long.
 Data: < < $&#196;           > 00 3C 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C424000000, 16 bytes long.
 Data: <&#216;; $&#196;           > D8 3B 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C423FFC490, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002C423FFF880, 16 bytes long.
 Data: <&#176;; $&#196;           > B0 3B 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C423FFBB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002C423FFF560, 16 bytes long.
 Data: <&#248;: $&#196;           > F8 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C424000230, 16 bytes long.
 Data: <&#208;: $&#196;           > D0 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C423FFFF60, 16 bytes long.
 Data: <&#168;: $&#196;           > A8 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C423FFFA60, 16 bytes long.
 Data: < : $&#196;           > 80 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C4240001E0, 16 bytes long.
 Data: <X: $&#196;           > 58 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C424000190, 16 bytes long.
 Data: <0: $&#196;           > 30 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C423FFFEC0, 16 bytes long.
 Data: <&#160;&#224;&#255;#&#196;           > A0 E0 FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C423FFE0A0, 40 bytes long.
 Data: <&#192;&#254;&#255;#&#196;   `_&#223;%&#196;   > C0 FE FF 23 C4 02 00 00 60 5F DF 25 C4 02 00 00 
{267} normal block at 0x000002C423FFFDD0, 16 bytes long.
 Data: < : $&#196;           > 10 3A 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C424000140, 16 bytes long.
 Data: <&#232;9 $&#196;           > E8 39 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C423FFB950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002C423FFFD80, 16 bytes long.
 Data: <&#192;9 $&#196;           > C0 39 00 24 C4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C4240039C0, 992 bytes long.
 Data: < &#253;&#255;#&#196;   P&#185;&#255;#&#196;   > 80 FD FF 23 C4 02 00 00 50 B9 FF 23 C4 02 00 00 
{99} normal block at 0x000002C423FFBA70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002C423FFF420, 16 bytes long.
 Data: <p&#222;&#255;#&#196;           > 70 DE FF 23 C4 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002C423FFDE70, 40 bytes long.
 Data: < &#244;&#255;#&#196;   p&#186;&#255;#&#196;   > 20 F4 FF 23 C4 02 00 00 70 BA FF 23 C4 02 00 00 
{76} normal block at 0x000002C423FFF470, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002C423FFF9C0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002C423FFF830, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002C424000370, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002C423FFFA10, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C424000320, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C423FFF6A0, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C423FFFFB0, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C424000280, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C423FFFC90, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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