Task 38654095

Name test_649-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5809_2
Workunit 31597572
Created 24 Oct 2026, 6:42:24 UTC
Sent 24 Oct 2026, 6:45:38 UTC
Report deadline 29 Oct 2026, 6:45:38 UTC
Received 24 Oct 2026, 7:51:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 42 sec
CPU time 30 min 39 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 713.04 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>
03:19:11 (11404): wrapper (7.9.26016): starting
03:19:11 (11404): 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
03:19:12 (11404): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:19:12 (11404): 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
03:50:43 (11404): C:/Windows/system32/cmd.exe exited; CPU time 1839.234375
03:50:43 (11404): 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: 45575802 bytes.
Dumping objects ->
{3835289} normal block at 0x000001612BA40260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000001612BA40110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001612BA40A40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000001612BA400A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001612BA40D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000001612BA394F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001612DA8CE70, 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) : {3835200} normal block at 0x000001612BA46B70, 8 bytes long.
 Data: <  &#254;+a   > 00 00 FE 2B 61 01 00 00 
{3834576} normal block at 0x000001612DA8CFB0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001612BA47520, 8 bytes long.
 Data: <p&#220;&#173;+a   > 70 DC AD 2B 61 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001612BA32F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001612B9F6C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001612BA472F0, 16 bytes long.
 Data: < g&#164;+a           > 08 67 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001612BA46D00, 16 bytes long.
 Data: <&#224;f&#164;+a           > E0 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001612BA3E1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001612BA42AE0, 16 bytes long.
 Data: <&#184;f&#164;+a           > B8 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001612BA42A90, 16 bytes long.
 Data: < f&#164;+a           > 90 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001612BA42810, 16 bytes long.
 Data: <hf&#164;+a           > 68 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001612BA429F0, 16 bytes long.
 Data: <@f&#164;+a           > 40 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001612BA3FF50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001612BA427C0, 16 bytes long.
 Data: < a&#164;+a           > 18 61 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001612BA3E890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001612BA42450, 16 bytes long.
 Data: <&#240;`&#164;+a           > F0 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001612BA42180, 16 bytes long.
 Data: <&#200;`&#164;+a           > C8 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001612BA428B0, 16 bytes long.
 Data: <&#160;`&#164;+a           > A0 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001612BA42770, 16 bytes long.
 Data: <x`&#164;+a           > 78 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001612BA42EA0, 16 bytes long.
 Data: <P`&#164;+a           > 50 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001612BA42680, 16 bytes long.
 Data: <(`&#164;+a           > 28 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001612BA3DC30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001612BA42DB0, 16 bytes long.
 Data: < `&#164;+a           > 00 60 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001612BA46000, 320 bytes long.
 Data: <&#176;-&#164;+a   0&#220;&#163;+a   > B0 2D A4 2B 61 01 00 00 30 DC A3 2B 61 01 00 00 
{280} normal block at 0x000001612BA42090, 16 bytes long.
 Data: < f&#164;+a           > 20 66 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001612BA42630, 16 bytes long.
 Data: <&#248;e&#164;+a           > F8 65 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001612BA3DB70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001612BA429A0, 16 bytes long.
 Data: <&#208;e&#164;+a           > D0 65 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001612BA3DFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001612BA42270, 16 bytes long.
 Data: < e&#164;+a           > 18 65 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001612BA42540, 16 bytes long.
 Data: <&#240;d&#164;+a           > F0 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001612BA42220, 16 bytes long.
 Data: <&#200;d&#164;+a           > C8 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001612BA42A40, 16 bytes long.
 Data: <&#160;d&#164;+a           > A0 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001612BA42950, 16 bytes long.
 Data: <xd&#164;+a           > 78 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001612BA424A0, 16 bytes long.
 Data: <Pd&#164;+a           > 50 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001612BA421D0, 16 bytes long.
 Data: <0 &#164;+a           > 30 0E A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001612BA40E30, 40 bytes long.
 Data: <&#208;!&#164;+a   &#240;&#148;&#163;+a   > D0 21 A4 2B 61 01 00 00 F0 94 A3 2B 61 01 00 00 
{266} normal block at 0x000001612BA41FA0, 16 bytes long.
 Data: <0d&#164;+a           > 30 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001612BA42CC0, 16 bytes long.
 Data: < d&#164;+a           > 08 64 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001612BA3E170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001612BA42400, 16 bytes long.
 Data: <&#224;c&#164;+a           > E0 63 A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001612BA463E0, 992 bytes long.
 Data: < $&#164;+a   p&#225;&#163;+a   > 00 24 A4 2B 61 01 00 00 70 E1 A3 2B 61 01 00 00 
{98} normal block at 0x000001612BA3DF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001612BA42BD0, 16 bytes long.
 Data: <p &#164;+a           > 70 0C A4 2B 61 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001612BA40C70, 40 bytes long.
 Data: <&#208;+&#164;+a   0&#223;&#163;+a   > D0 2B A4 2B 61 01 00 00 30 DF A3 2B 61 01 00 00 
{75} normal block at 0x000001612BA42B80, 16 bytes long.
 Data: < &#234;&#236;&#227;&#246;           > 80 EA EC E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001612BA42D60, 16 bytes long.
 Data: <@&#233;&#236;&#227;&#246;           > 40 E9 EC E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001612BA42590, 16 bytes long.
 Data: <&#248;W&#233;&#227;&#246;           > F8 57 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001612BA42C70, 16 bytes long.
 Data: <&#216;W&#233;&#227;&#246;           > D8 57 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001612BA422C0, 16 bytes long.
 Data: <P &#233;&#227;&#246;           > 50 04 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001612BA42D10, 16 bytes long.
 Data: <0 &#233;&#227;&#246;           > 30 04 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001612BA425E0, 16 bytes long.
 Data: <&#224; &#233;&#227;&#246;           > E0 02 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001612BA38420, 16 bytes long.
 Data: <  &#233;&#227;&#246;           > 10 04 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001612BA38510, 16 bytes long.
 Data: <p &#233;&#227;&#246;           > 70 04 E9 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001612BA38380, 16 bytes long.
 Data: < &#192;&#231;&#227;&#246;           > 18 C0 E7 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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