Task 38674239

Name test_650-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2597_0
Workunit 31616284
Created 26 Oct 2026, 4:41:57 UTC
Sent 26 Oct 2026, 4:42:00 UTC
Report deadline 31 Oct 2026, 4:42:00 UTC
Received 26 Oct 2026, 5:33:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 37 sec
CPU time 46 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.71 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:45:23 (32572): wrapper (7.9.26016): starting
05:45:23 (32572): 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
05:45:25 (32572): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:45:25 (32572): 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\22\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\22\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
06:32:24 (32572): C:/Windows/system32/cmd.exe exited; CPU time 2797.015625
06:32:24 (32572): 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: 48043681 bytes.
Dumping objects ->
{3835363} normal block at 0x000002443B95B9F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000002443B95B1A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000002443B9350D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000002443B934F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000002443B935060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000002443D754340, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000002443D7A9310, 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) : {3835274} normal block at 0x000002443B92F580, 8 bytes long.
 Data: <  &#142;;D   > 00 00 8E 3B 44 02 00 00 
{3834606} normal block at 0x000002443D7A8AD0, 102 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 0x000002443B92F760, 8 bytes long.
 Data: <`J~=D   > 60 4A 7E 3D 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002443B931870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002443B926230, 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 0x000002443B936080, 16 bytes long.
 Data: <&#200;h&#147;;D           > C8 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002443B9355E0, 16 bytes long.
 Data: <&#160;h&#147;;D           > A0 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002443B930580, 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 0x000002443B935C70, 16 bytes long.
 Data: <xh&#147;;D           > 78 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002443B935BD0, 16 bytes long.
 Data: <Ph&#147;;D           > 50 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002443B935B80, 16 bytes long.
 Data: <(h&#147;;D           > 28 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002443B935FE0, 16 bytes long.
 Data: < h&#147;;D           > 00 68 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002443B934F80, 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 0x000002443B935F90, 16 bytes long.
 Data: < &#232;&#146;;D           > 08 E8 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002443B9305E0, 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 0x000002443B935EF0, 16 bytes long.
 Data: <&#224;&#231;&#146;;D           > E0 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002443B935AE0, 16 bytes long.
 Data: <&#184;&#231;&#146;;D           > B8 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002443B935EA0, 16 bytes long.
 Data: < &#231;&#146;;D           > 90 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002443B9363A0, 16 bytes long.
 Data: <h&#231;&#146;;D           > 68 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002443B9357C0, 16 bytes long.
 Data: <@&#231;&#146;;D           > 40 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002443B935A90, 16 bytes long.
 Data: < &#231;&#146;;D           > 18 E7 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002443B92FE00, 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 0x000002443B935C20, 16 bytes long.
 Data: <&#240;&#230;&#146;;D           > F0 E6 92 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002443B92E6F0, 320 bytes long.
 Data: < \&#147;;D    &#254;&#146;;D   > 20 5C 93 3B 44 02 00 00 00 FE 92 3B 44 02 00 00 
{278} normal block at 0x000002443B935E50, 16 bytes long.
 Data: <&#224;g&#147;;D           > E0 67 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002443B9358B0, 16 bytes long.
 Data: <&#184;g&#147;;D           > B8 67 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002443B9308E0, 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 0x000002443B935E00, 16 bytes long.
 Data: < g&#147;;D           > 90 67 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002443B930820, 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 0x000002443B936350, 16 bytes long.
 Data: <&#216;f&#147;;D           > D8 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002443B935720, 16 bytes long.
 Data: <&#176;f&#147;;D           > B0 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002443B935B30, 16 bytes long.
 Data: < f&#147;;D           > 88 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002443B935860, 16 bytes long.
 Data: <`f&#147;;D           > 60 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002443B936300, 16 bytes long.
 Data: <8f&#147;;D           > 38 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002443B936260, 16 bytes long.
 Data: < f&#147;;D           > 10 66 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002443B936210, 16 bytes long.
 Data: <&#176;J&#147;;D           > B0 4A 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002443B934AB0, 40 bytes long.
 Data: < b&#147;;D   @Cu=D   > 10 62 93 3B 44 02 00 00 40 43 75 3D 44 02 00 00 
{264} normal block at 0x000002443B935A40, 16 bytes long.
 Data: <&#240;e&#147;;D           > F0 65 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002443B935F40, 16 bytes long.
 Data: <&#200;e&#147;;D           > C8 65 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002443B92FC20, 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 0x000002443B935950, 16 bytes long.
 Data: <&#160;e&#147;;D           > A0 65 93 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002443B9365A0, 992 bytes long.
 Data: <PY&#147;;D    &#252;&#146;;D   > 50 59 93 3B 44 02 00 00 20 FC 92 3B 44 02 00 00 
{96} normal block at 0x000002443B930400, 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 0x000002443B92EBD0, 16 bytes long.
 Data: <&#224;&#240;&#145;;D           > E0 F0 91 3B 44 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002443B91F0E0, 40 bytes long.
 Data: <&#208;&#235;&#146;;D     &#147;;D   > D0 EB 92 3B 44 02 00 00 00 04 93 3B 44 02 00 00 
{73} normal block at 0x000002443B92EE00, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002443B92F9E0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002443B92EB80, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002443B92F300, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002443B92F170, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002443B92EC70, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002443B92F990, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002443B92EE50, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002443B92EEF0, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002443B92F940, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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