Task 38687665

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7593_0
Workunit 31629048
Created 28 Oct 2026, 9:05:33 UTC
Sent 28 Oct 2026, 9:05:41 UTC
Report deadline 2 Nov 2026, 9:05:41 UTC
Received 28 Oct 2026, 9:29:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 9 sec
CPU time 22 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.76 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:06:35 (10640): wrapper (7.9.26016): starting
10:06:35 (10640): 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
10:06:36 (10640): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:06:36 (10640): 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\8\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\8\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
10:28:58 (10640): C:/Windows/system32/cmd.exe exited; CPU time 1359.000000
10:28:58 (10640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23357707 bytes.
Dumping objects ->
{3835329} normal block at 0x00000206A1B25640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x00000206A1B25AA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000206A1B255D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x00000206A1B25A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x00000206A1B25560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000206A1B2D130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000002069FF0CF10, 140 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) : {3835240} normal block at 0x000002069FEAE0B0, 8 bytes long.
 Data: <  +&#160;    > 00 00 2B A0 06 02 00 00 
{3834594} normal block at 0x000002069FF0CD70, 140 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 0x000002069FEADC50, 8 bytes long.
 Data: <&#224;&#232;&#248;&#159;    > E0 E8 F8 9F 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002069FEB0C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002069FEA6100, 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 0x000002069FEB6370, 16 bytes long.
 Data: <Hh&#235;&#159;            > 48 68 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002069FEB62D0, 16 bytes long.
 Data: < h&#235;&#159;            > 20 68 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002069FEAF940, 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 0x000002069FEB5650, 16 bytes long.
 Data: <&#248;g&#235;&#159;            > F8 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002069FEB5F10, 16 bytes long.
 Data: <&#208;g&#235;&#159;            > D0 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002069FEB5600, 16 bytes long.
 Data: <&#168;g&#235;&#159;            > A8 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002069FEB6410, 16 bytes long.
 Data: < g&#235;&#159;            > 80 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002069FEB3A90, 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 0x000002069FEB5BF0, 16 bytes long.
 Data: < &#182;&#233;&#159;            > 88 B6 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002069FEAF640, 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 0x000002069FEB5DD0, 16 bytes long.
 Data: <`&#182;&#233;&#159;            > 60 B6 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002069FEB5920, 16 bytes long.
 Data: <8&#182;&#233;&#159;            > 38 B6 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002069FEB5740, 16 bytes long.
 Data: < &#182;&#233;&#159;            > 10 B6 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002069FEB58D0, 16 bytes long.
 Data: <&#232;&#181;&#233;&#159;            > E8 B5 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002069FEB5B50, 16 bytes long.
 Data: <&#192;&#181;&#233;&#159;            > C0 B5 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002069FEB5FB0, 16 bytes long.
 Data: < &#181;&#233;&#159;            > 98 B5 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002069FEAF2E0, 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 0x000002069FEB6190, 16 bytes long.
 Data: <p&#181;&#233;&#159;            > 70 B5 E9 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002069FE9B570, 320 bytes long.
 Data: < a&#235;&#159;    &#224;&#242;&#234;&#159;    > 90 61 EB 9F 06 02 00 00 E0 F2 EA 9F 06 02 00 00 
{279} normal block at 0x000002069FEB6000, 16 bytes long.
 Data: <`g&#235;&#159;            > 60 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002069FEB5BA0, 16 bytes long.
 Data: <8g&#235;&#159;            > 38 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002069FEAF700, 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 0x000002069FEB6320, 16 bytes long.
 Data: < g&#235;&#159;            > 10 67 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002069FEAF8E0, 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 0x000002069FEB6280, 16 bytes long.
 Data: <Xf&#235;&#159;            > 58 66 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002069FEB5AB0, 16 bytes long.
 Data: <0f&#235;&#159;            > 30 66 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002069FEB56A0, 16 bytes long.
 Data: < f&#235;&#159;            > 08 66 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002069FEB5D30, 16 bytes long.
 Data: <&#224;e&#235;&#159;            > E0 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002069FEB63C0, 16 bytes long.
 Data: <&#184;e&#235;&#159;            > B8 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002069FEB61E0, 16 bytes long.
 Data: < e&#235;&#159;            > 90 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002069FEB5C90, 16 bytes long.
 Data: <&#208;8&#235;&#159;            > D0 38 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002069FEB38D0, 40 bytes long.
 Data: < \&#235;&#159;    0&#209;&#178;&#161;    > 90 5C EB 9F 06 02 00 00 30 D1 B2 A1 06 02 00 00 
{265} normal block at 0x000002069FEB5830, 16 bytes long.
 Data: <pe&#235;&#159;            > 70 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002069FEB5EC0, 16 bytes long.
 Data: <He&#235;&#159;            > 48 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002069FEAF220, 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 0x000002069FEB5A10, 16 bytes long.
 Data: < e&#235;&#159;            > 20 65 EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002069FEB6520, 992 bytes long.
 Data: < Z&#235;&#159;     &#242;&#234;&#159;    > 10 5A EB 9F 06 02 00 00 20 F2 EA 9F 06 02 00 00 
{97} normal block at 0x000002069FEAF280, 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 0x000002069FEADA70, 16 bytes long.
 Data: < ;&#235;&#159;            > 00 3B EB 9F 06 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002069FEB3B00, 40 bytes long.
 Data: <p&#218;&#234;&#159;     &#242;&#234;&#159;    > 70 DA EA 9F 06 02 00 00 80 F2 EA 9F 06 02 00 00 
{74} normal block at 0x000002069FEAD200, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002069FEAD5C0, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002069FEAD4D0, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002069FEAE060, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002069FEAD890, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002069FEAD7F0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002069FEADC00, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002069FEADDE0, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002069FEAD570, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002069FEAD9D0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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