Task 38678388

Name test_197-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9216_0
Workunit 31620209
Created 26 Oct 2026, 17:15:08 UTC
Sent 26 Oct 2026, 17:15:10 UTC
Report deadline 31 Oct 2026, 17:15:10 UTC
Received 26 Oct 2026, 17:46:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 22 min 7 sec
CPU time 21 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.82 MB
Peak swap size 12.99 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
04:24:50 (812): wrapper (7.9.26016): starting
04:24:50 (812): 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
04:24:51 (812): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:24:51 (812): 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\34\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\34\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
04:46:05 (812): C:/Windows/system32/cmd.exe exited; CPU time 1265.921875
04:46:05 (812): 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: 23417291 bytes.
Dumping objects ->
{3835653} normal block at 0x000002152846D4D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x000002152846D0E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x0000021526654DA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x0000021526654C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x0000021526654B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x00000215284BA9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x00000215284CF000, 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) : {3835564} normal block at 0x000002152664FA80, 8 bytes long.
 Data: <  &#180;&    > 00 00 B4 26 15 02 00 00 
{3834735} normal block at 0x00000215284CED40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002152664F260, 8 bytes long.
 Data: <&#160;@e&    > A0 40 65 26 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000021526650B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021526646120, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000021526656110, 16 bytes long.
 Data: <&#200;ge&            > C8 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021526656070, 16 bytes long.
 Data: <&#160;ge&            > A0 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002152664D8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000021526655A30, 16 bytes long.
 Data: <xge&            > 78 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021526655FD0, 16 bytes long.
 Data: <Pge&            > 50 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000215266558F0, 16 bytes long.
 Data: <(ge&            > 28 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000215266561B0, 16 bytes long.
 Data: < ge&            > 00 67 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000215266549B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000215266562F0, 16 bytes long.
 Data: <xSe&            > 78 53 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002152664DC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000021526655990, 16 bytes long.
 Data: <PSe&            > 50 53 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000215266554E0, 16 bytes long.
 Data: <(Se&            > 28 53 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021526655F80, 16 bytes long.
 Data: < Se&            > 00 53 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021526655530, 16 bytes long.
 Data: <&#216;Re&            > D8 52 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021526656250, 16 bytes long.
 Data: <&#176;Re&            > B0 52 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021526655F30, 16 bytes long.
 Data: < Re&            > 88 52 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002152664E0D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000021526655DA0, 16 bytes long.
 Data: <`Re&            > 60 52 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021526655260, 320 bytes long.
 Data: <&#160;]e&    &#208;&#224;d&    > A0 5D 65 26 15 02 00 00 D0 E0 64 26 15 02 00 00 
{281} normal block at 0x0000021526655D50, 16 bytes long.
 Data: <&#224;fe&            > E0 66 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021526656390, 16 bytes long.
 Data: <&#184;fe&            > B8 66 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002152664E070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000021526655C10, 16 bytes long.
 Data: < fe&            > 90 66 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002152664DFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000021526655EE0, 16 bytes long.
 Data: <&#216;ee&            > D8 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021526655A80, 16 bytes long.
 Data: <&#176;ee&            > B0 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021526655D00, 16 bytes long.
 Data: < ee&            > 88 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000215266558A0, 16 bytes long.
 Data: <`ee&            > 60 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021526655BC0, 16 bytes long.
 Data: <8ee&            > 38 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000215266557B0, 16 bytes long.
 Data: < ee&            > 10 65 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021526655C60, 16 bytes long.
 Data: <&#208;He&            > D0 48 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215266548D0, 40 bytes long.
 Data: <`\e&    &#160;&#169;K(    > 60 5C 65 26 15 02 00 00 A0 A9 4B 28 15 02 00 00 
{267} normal block at 0x00000215266562A0, 16 bytes long.
 Data: <&#240;de&            > F0 64 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021526655E40, 16 bytes long.
 Data: <&#200;de&            > C8 64 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002152664D650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000021526655AD0, 16 bytes long.
 Data: <&#160;de&            > A0 64 65 26 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215266564A0, 992 bytes long.
 Data: <&#208;Ze&    P&#214;d&    > D0 5A 65 26 15 02 00 00 50 D6 64 26 15 02 00 00 
{99} normal block at 0x000002152664DB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002152664EEA0, 16 bytes long.
 Data: <&#240;&#231;c&            > F0 E7 63 26 15 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002152663E7F0, 40 bytes long.
 Data: <&#160;&#238;d&     &#219;d&    > A0 EE 64 26 15 02 00 00 90 DB 64 26 15 02 00 00 
{76} normal block at 0x000002152664F800, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002152664F210, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002152664F940, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002152664F3A0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002152664F030, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002152664F440, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002152664EB30, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002152664F5D0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002152664EB80, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002152664F8A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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