Task 38675484

Name test_937-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8160_0
Workunit 31617455
Created 26 Oct 2026, 8:25:41 UTC
Sent 26 Oct 2026, 8:25:44 UTC
Report deadline 31 Oct 2026, 8:25:44 UTC
Received 26 Oct 2026, 9:25:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 59 min 7 sec
CPU time 57 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.21 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:27:14 (14180): wrapper (7.9.26016): starting
09:27:14 (14180): 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
09:27:15 (14180): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:27:15 (14180): 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\10\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\10\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
10:24:58 (14180): C:/Windows/system32/cmd.exe exited; CPU time 3451.421875
10:24:58 (14180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 51411769 bytes.
Dumping objects ->
{3835638} normal block at 0x000002260734B840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000002260734C090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000002260734B290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000002260734B300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000226073269C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x0000022608F6BFD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000002260731C590, 200 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) : {3835549} normal block at 0x000002260731E6F0, 8 bytes long.
 Data: <  / &   > 00 00 2F 07 26 02 00 00 
{3834745} normal block at 0x000002260731BC00, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002260731EF10, 8 bytes long.
 Data: <0Q  &   > 30 51 FF 08 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022607322410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022607317A60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000226073279A0, 16 bytes long.
 Data: <(~2 &           > 28 7E 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000226073273B0, 16 bytes long.
 Data: < ~2 &           > 00 7E 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022607320C00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000022607326E60, 16 bytes long.
 Data: <&#216;}2 &           > D8 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022607327310, 16 bytes long.
 Data: <&#176;}2 &           > B0 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022607327A90, 16 bytes long.
 Data: < }2 &           > 88 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000226073276D0, 16 bytes long.
 Data: <`}2 &           > 60 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022607326720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000022607327680, 16 bytes long.
 Data: <X&#164;1 &           > 58 A4 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022607320B40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000022607326FF0, 16 bytes long.
 Data: <0&#164;1 &           > 30 A4 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022607327270, 16 bytes long.
 Data: < &#164;1 &           > 08 A4 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022607326E10, 16 bytes long.
 Data: <&#224;&#163;1 &           > E0 A3 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022607326DC0, 16 bytes long.
 Data: <&#184;&#163;1 &           > B8 A3 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022607326D70, 16 bytes long.
 Data: < &#163;1 &           > 90 A3 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022607326D20, 16 bytes long.
 Data: <h&#163;1 &           > 68 A3 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022607320AE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000022607327450, 16 bytes long.
 Data: <@&#163;1 &           > 40 A3 31 07 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002260731A340, 320 bytes long.
 Data: <Pt2 &   &#224; 2 &   > 50 74 32 07 26 02 00 00 E0 0A 32 07 26 02 00 00 
{279} normal block at 0x0000022607327360, 16 bytes long.
 Data: <@}2 &           > 40 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022607326FA0, 16 bytes long.
 Data: < }2 &           > 18 7D 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022607320660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000226073279F0, 16 bytes long.
 Data: <&#240;|2 &           > F0 7C 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022607320420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000226073272C0, 16 bytes long.
 Data: <8|2 &           > 38 7C 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022607326CD0, 16 bytes long.
 Data: < |2 &           > 10 7C 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022607327040, 16 bytes long.
 Data: <&#232;{2 &           > E8 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022607327720, 16 bytes long.
 Data: <&#192;{2 &           > C0 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022607327220, 16 bytes long.
 Data: < {2 &           > 98 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000226073278B0, 16 bytes long.
 Data: <p{2 &           > 70 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226073271D0, 16 bytes long.
 Data: <&#208;e2 &           > D0 65 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000226073265D0, 40 bytes long.
 Data: <&#208;q2 &   &#208;&#191;&#246; &   > D0 71 32 07 26 02 00 00 D0 BF F6 08 26 02 00 00 
{265} normal block at 0x0000022607326BE0, 16 bytes long.
 Data: <P{2 &           > 50 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022607326C80, 16 bytes long.
 Data: <({2 &           > 28 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022607321080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000022607326C30, 16 bytes long.
 Data: < {2 &           > 00 7B 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022607327B00, 992 bytes long.
 Data: <0l2 &     2 &   > 30 6C 32 07 26 02 00 00 80 10 32 07 26 02 00 00 
{97} normal block at 0x0000022607320A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002260731EF60, 16 bytes long.
 Data: <0j2 &           > 30 6A 32 07 26 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022607326A30, 40 bytes long.
 Data: <`&#239;1 &     2 &   > 60 EF 31 07 26 02 00 00 80 0A 32 07 26 02 00 00 
{74} normal block at 0x000002260731ECE0, 16 bytes long.
 Data: < &#234; &#150;&#247;           > 80 EA 1E 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002260731F500, 16 bytes long.
 Data: <@&#233; &#150;&#247;           > 40 E9 1E 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002260731F3C0, 16 bytes long.
 Data: <&#248;W &#150;&#247;           > F8 57 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002260731E7E0, 16 bytes long.
 Data: <&#216;W &#150;&#247;           > D8 57 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002260731E650, 16 bytes long.
 Data: <P  &#150;&#247;           > 50 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002260731EEC0, 16 bytes long.
 Data: <0  &#150;&#247;           > 30 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002260731E6A0, 16 bytes long.
 Data: <&#224;  &#150;&#247;           > E0 02 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002260731F230, 16 bytes long.
 Data: <   &#150;&#247;           > 10 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002260731F280, 16 bytes long.
 Data: <p  &#150;&#247;           > 70 04 1B 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002260731EAB0, 16 bytes long.
 Data: < &#192; &#150;&#247;           > 18 C0 19 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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