Task 38684166

Name test_250-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9091_0
Workunit 31625687
Created 27 Oct 2026, 14:59:35 UTC
Sent 27 Oct 2026, 14:59:45 UTC
Report deadline 1 Nov 2026, 14:59:45 UTC
Received 27 Oct 2026, 15:21:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 20 min 2 sec
CPU time 18 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.32 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:00:48 (18812): wrapper (7.9.26016): starting
15:00:48 (18812): 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
15:00:49 (18812): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:00:49 (18812): 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\13\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\13\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
15:20:03 (18812): C:/Windows/system32/cmd.exe exited; CPU time 1094.843750
15:20:03 (18812): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 18718087 bytes.
Dumping objects ->
{3835253} normal block at 0x000002299545D530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000022993695100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000022993695090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000022993695020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000022993694D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x00000229954A7770, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835165} normal block at 0x000002299368FAD0, 8 bytes long.
 Data: <  &#215;&#147;)   > 00 00 D7 93 29 02 00 00 
{3833961} normal block at 0x000002299368FFD0, 8 bytes long.
 Data: <&#240;&#154;k&#147;)   > F0 9A 6B 93 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022993690FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022993685F90, 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 0x0000022993696070, 16 bytes long.
 Data: <&#232;Xi&#147;)           > E8 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229936963E0, 16 bytes long.
 Data: <&#192;Xi&#147;)           > C0 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002299368F780, 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 0x00000229936965C0, 16 bytes long.
 Data: < Xi&#147;)           > 98 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022993695EE0, 16 bytes long.
 Data: <pXi&#147;)           > 70 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022993695E90, 16 bytes long.
 Data: <HXi&#147;)           > 48 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229936968E0, 16 bytes long.
 Data: < Xi&#147;)           > 20 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022993694DF0, 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 0x0000022993696570, 16 bytes long.
 Data: <(&#239;g&#147;)           > 28 EF 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002299368F420, 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 0x0000022993696390, 16 bytes long.
 Data: < &#239;g&#147;)           > 00 EF 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022993696930, 16 bytes long.
 Data: <&#216;&#238;g&#147;)           > D8 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022993696890, 16 bytes long.
 Data: <&#176;&#238;g&#147;)           > B0 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229936962F0, 16 bytes long.
 Data: < &#238;g&#147;)           > 88 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022993696480, 16 bytes long.
 Data: <`&#238;g&#147;)           > 60 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022993695BC0, 16 bytes long.
 Data: <8&#238;g&#147;)           > 38 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002299368F720, 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 0x0000022993695B70, 16 bytes long.
 Data: < &#238;g&#147;)           > 10 EE 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002299367EE10, 320 bytes long.
 Data: <p[i&#147;)    &#247;h&#147;)   > 70 5B 69 93 29 02 00 00 20 F7 68 93 29 02 00 00 
{276} normal block at 0x00000229936964D0, 16 bytes long.
 Data: < Xi&#147;)           > 00 58 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229936962A0, 16 bytes long.
 Data: <&#216;Wi&#147;)           > D8 57 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002299368F060, 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 0x0000022993696520, 16 bytes long.
 Data: <&#176;Wi&#147;)           > B0 57 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002299368F6C0, 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 0x0000022993696110, 16 bytes long.
 Data: <&#248;Vi&#147;)           > F8 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022993696340, 16 bytes long.
 Data: <&#208;Vi&#147;)           > D0 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022993696200, 16 bytes long.
 Data: <&#168;Vi&#147;)           > A8 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022993696250, 16 bytes long.
 Data: < Vi&#147;)           > 80 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002299368FF80, 16 bytes long.
 Data: <XVi&#147;)           > 58 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002299368FF30, 16 bytes long.
 Data: <0Vi&#147;)           > 30 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229936909D0, 16 bytes long.
 Data: <pJi&#147;)           > 70 4A 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022993694A70, 40 bytes long.
 Data: <&#208;	i&#147;)   pwJ&#149;)   > D0 09 69 93 29 02 00 00 70 77 4A 95 29 02 00 00 
{262} normal block at 0x00000229936907F0, 16 bytes long.
 Data: < Vi&#147;)           > 10 56 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229936906B0, 16 bytes long.
 Data: <&#232;Ui&#147;)           > E8 55 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002299368EFA0, 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 0x0000022993690980, 16 bytes long.
 Data: <&#192;Ui&#147;)           > C0 55 69 93 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229936955C0, 992 bytes long.
 Data: < 	i&#147;)   &#160;&#239;h&#147;)   > 80 09 69 93 29 02 00 00 A0 EF 68 93 29 02 00 00 
{94} normal block at 0x000002299368EBE0, 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 0x0000022993690930, 16 bytes long.
 Data: < &#213;g&#147;)           > 00 D5 67 93 29 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002299367D500, 40 bytes long.
 Data: <0	i&#147;)   &#224;&#235;h&#147;)   > 30 09 69 93 29 02 00 00 E0 EB 68 93 29 02 00 00 
{71} normal block at 0x0000022993690160, 16 bytes long.
 Data: < &#234; p&#247;           > 80 EA 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022993690750, 16 bytes long.
 Data: <@&#233; p&#247;           > 40 E9 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022993690200, 16 bytes long.
 Data: <&#248;W p&#247;           > F8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000229936900C0, 16 bytes long.
 Data: <&#216;W p&#247;           > D8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022993690250, 16 bytes long.
 Data: <P  p&#247;           > 50 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022993690070, 16 bytes long.
 Data: <0  p&#247;           > 30 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022993690110, 16 bytes long.
 Data: <&#224;  p&#247;           > E0 02 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002299368FE90, 16 bytes long.
 Data: <   p&#247;           > 10 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022993690570, 16 bytes long.
 Data: <p  p&#247;           > 70 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229936904D0, 16 bytes long.
 Data: < &#192; p&#247;           > 18 C0 03 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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