Task 38686593

Name test_252-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4287_0
Workunit 31628020
Created 28 Oct 2026, 3:22:53 UTC
Sent 28 Oct 2026, 3:22:57 UTC
Report deadline 2 Nov 2026, 3:22:57 UTC
Received 28 Oct 2026, 3:57:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 21 sec
CPU time 30 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.04 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:24:41 (14580): wrapper (7.9.26016): starting
04:24:41 (14580): 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
04:24:43 (14580): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:24:43 (14580): 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\6\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\6\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
04:56:37 (14580): C:/Windows/system32/cmd.exe exited; CPU time 1834.515625
04:56:37 (14580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25531671 bytes.
Dumping objects ->
{3835311} normal block at 0x000001FED88CA0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001FED88C9EE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001FED88A48D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001FED88A4860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001FED88A4780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001FEDA4F8240, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001FED8909B80, 141 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) : {3835222} normal block at 0x000001FED889E920, 8 bytes long.
 Data: <  &#228;&#216;&#254;   > 00 00 E4 D8 FE 01 00 00 
{3834575} normal block at 0x000001FED890A2D0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001FED889E600, 8 bytes long.
 Data: <&#176;GX&#218;&#254;   > B0 47 58 DA FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FED88A1110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FED8896010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001FED88A58C0, 16 bytes long.
 Data: < f&#138;&#216;&#254;           > 08 66 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FED88A5E10, 16 bytes long.
 Data: <&#224;e&#138;&#216;&#254;           > E0 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FED889F940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001FED88A6220, 16 bytes long.
 Data: <&#184;e&#138;&#216;&#254;           > B8 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FED88A5690, 16 bytes long.
 Data: < e&#138;&#216;&#254;           > 90 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FED88A5640, 16 bytes long.
 Data: <he&#138;&#216;&#254;           > 68 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FED88A5FF0, 16 bytes long.
 Data: <@e&#138;&#216;&#254;           > 40 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FED88A4B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001FED88A5AF0, 16 bytes long.
 Data: < &#142;&#137;&#216;&#254;           > 08 8E 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FED889FDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001FED88A55F0, 16 bytes long.
 Data: <&#224; &#137;&#216;&#254;           > E0 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FED88A5C30, 16 bytes long.
 Data: <&#184; &#137;&#216;&#254;           > B8 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FED88A5D70, 16 bytes long.
 Data: <  &#137;&#216;&#254;           > 90 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FED88A5910, 16 bytes long.
 Data: <h &#137;&#216;&#254;           > 68 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FED88A5AA0, 16 bytes long.
 Data: <@ &#137;&#216;&#254;           > 40 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FED88A5FA0, 16 bytes long.
 Data: <  &#137;&#216;&#254;           > 18 8D 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FED88A00C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001FED88A5370, 16 bytes long.
 Data: <&#240;&#140;&#137;&#216;&#254;           > F0 8C 89 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FED8898CF0, 320 bytes long.
 Data: <pS&#138;&#216;&#254;   &#192; &#138;&#216;&#254;   > 70 53 8A D8 FE 01 00 00 C0 00 8A D8 FE 01 00 00 
{274} normal block at 0x000001FED88A5550, 16 bytes long.
 Data: < e&#138;&#216;&#254;           > 20 65 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FED88A5D20, 16 bytes long.
 Data: <&#248;d&#138;&#216;&#254;           > F8 64 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FED889FB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001FED88A5500, 16 bytes long.
 Data: <&#208;d&#138;&#216;&#254;           > D0 64 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FED889F4C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001FED88A59B0, 16 bytes long.
 Data: < d&#138;&#216;&#254;           > 18 64 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FED88A5460, 16 bytes long.
 Data: <&#240;c&#138;&#216;&#254;           > F0 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FED88A5BE0, 16 bytes long.
 Data: <&#200;c&#138;&#216;&#254;           > C8 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FED88A5A00, 16 bytes long.
 Data: <&#160;c&#138;&#216;&#254;           > A0 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FED88A55A0, 16 bytes long.
 Data: <xc&#138;&#216;&#254;           > 78 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FED88A5F50, 16 bytes long.
 Data: <Pc&#138;&#216;&#254;           > 50 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FED88A5EB0, 16 bytes long.
 Data: <&#192;L&#138;&#216;&#254;           > C0 4C 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FED88A4CC0, 40 bytes long.
 Data: <&#176;^&#138;&#216;&#254;   @&#130;O&#218;&#254;   > B0 5E 8A D8 FE 01 00 00 40 82 4F DA FE 01 00 00 
{260} normal block at 0x000001FED88A5A50, 16 bytes long.
 Data: <0c&#138;&#216;&#254;           > 30 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FED88A5DC0, 16 bytes long.
 Data: < c&#138;&#216;&#254;           > 08 63 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FED88A0000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001FED88A5410, 16 bytes long.
 Data: <&#224;b&#138;&#216;&#254;           > E0 62 8A D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FED88A62E0, 992 bytes long.
 Data: < T&#138;&#216;&#254;     &#138;&#216;&#254;   > 10 54 8A D8 FE 01 00 00 00 00 8A D8 FE 01 00 00 
{92} normal block at 0x000001FED889FCA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001FED889E650, 16 bytes long.
 Data: <&#160;&#210; &#216;&#254;           > A0 D2 88 D8 FE 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001FED888D2A0, 40 bytes long.
 Data: <P&#230;&#137;&#216;&#254;   &#160;&#252;&#137;&#216;&#254;   > 50 E6 89 D8 FE 01 00 00 A0 FC 89 D8 FE 01 00 00 
{69} normal block at 0x000001FED889EBA0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FED889EE20, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FED889EF10, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FED889E4C0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FED889EA60, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FED889E830, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FED889E470, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FED889E880, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FED889E330, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FED889E790, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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