Task 38681931

Name test_68-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9667_0
Workunit 31623572
Created 27 Oct 2026, 5:55:00 UTC
Sent 27 Oct 2026, 5:55:18 UTC
Report deadline 1 Nov 2026, 5:55:18 UTC
Received 27 Oct 2026, 6:46:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 41 sec
CPU time 46 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.31 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:58:15 (13700): wrapper (7.9.26016): starting
06:58:15 (13700): 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
06:58:17 (13700): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:58:17 (13700): 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\22\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\22\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
07:45:26 (13700): C:/Windows/system32/cmd.exe exited; CPU time 2801.343750
07:45:26 (13700): 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: 47883941 bytes.
Dumping objects ->
{3835363} normal block at 0x00000259FCD0BB40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x00000259FCD0B7C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x00000259FCCE4FF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x00000259FCCE50D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x00000259FCCE4EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x00000259FEA6B040, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x00000259FEAB8E40, 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) : {3835274} normal block at 0x00000259FCCDECC0, 8 bytes long.
 Data: <  1&#253;Y   > 00 00 31 FD 59 02 00 00 
{3834606} normal block at 0x00000259FEAB8EF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000259FCCDF620, 8 bytes long.
 Data: <`J&#175;&#254;Y   > 60 4A AF FE 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000259FCCE1870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000259FCCD6470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000259FCCE5860, 16 bytes long.
 Data: <&#200;h&#206;&#252;Y           > C8 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000259FCCE57C0, 16 bytes long.
 Data: <&#160;h&#206;&#252;Y           > A0 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000259FCCDFF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000259FCCE5630, 16 bytes long.
 Data: <xh&#206;&#252;Y           > 78 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000259FCCE60D0, 16 bytes long.
 Data: <Ph&#206;&#252;Y           > 50 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000259FCCE5DB0, 16 bytes long.
 Data: <(h&#206;&#252;Y           > 28 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000259FCCE61C0, 16 bytes long.
 Data: < h&#206;&#252;Y           > 00 68 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000259FCCE49D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000259FCCE5B30, 16 bytes long.
 Data: < &#232;&#205;&#252;Y           > 08 E8 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000259FCCE02E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000259FCCE5D60, 16 bytes long.
 Data: <&#224;&#231;&#205;&#252;Y           > E0 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000259FCCE5770, 16 bytes long.
 Data: <&#184;&#231;&#205;&#252;Y           > B8 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000259FCCE55E0, 16 bytes long.
 Data: < &#231;&#205;&#252;Y           > 90 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000259FCCE6260, 16 bytes long.
 Data: <h&#231;&#205;&#252;Y           > 68 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000259FCCE5720, 16 bytes long.
 Data: <@&#231;&#205;&#252;Y           > 40 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000259FCCE5D10, 16 bytes long.
 Data: < &#231;&#205;&#252;Y           > 18 E7 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000259FCCE0940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000259FCCE62B0, 16 bytes long.
 Data: <&#240;&#230;&#205;&#252;Y           > F0 E6 CD FC 59 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000259FCCDE6F0, 320 bytes long.
 Data: <&#176;b&#206;&#252;Y   @	&#206;&#252;Y   > B0 62 CE FC 59 02 00 00 40 09 CE FC 59 02 00 00 
{278} normal block at 0x00000259FCCE5AE0, 16 bytes long.
 Data: <&#224;g&#206;&#252;Y           > E0 67 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000259FCCE5F90, 16 bytes long.
 Data: <&#184;g&#206;&#252;Y           > B8 67 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000259FCCE0280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000259FCCE5CC0, 16 bytes long.
 Data: < g&#206;&#252;Y           > 90 67 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000259FCCE08E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000259FCCE59A0, 16 bytes long.
 Data: <&#216;f&#206;&#252;Y           > D8 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000259FCCE5A90, 16 bytes long.
 Data: <&#176;f&#206;&#252;Y           > B0 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000259FCCE5F40, 16 bytes long.
 Data: < f&#206;&#252;Y           > 88 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000259FCCE56D0, 16 bytes long.
 Data: <`f&#206;&#252;Y           > 60 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000259FCCE5A40, 16 bytes long.
 Data: <8f&#206;&#252;Y           > 38 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000259FCCE5C70, 16 bytes long.
 Data: < f&#206;&#252;Y           > 10 66 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000259FCCE63F0, 16 bytes long.
 Data: <@J&#206;&#252;Y           > 40 4A CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000259FCCE4A40, 40 bytes long.
 Data: <&#240;c&#206;&#252;Y   @&#176;&#166;&#254;Y   > F0 63 CE FC 59 02 00 00 40 B0 A6 FE 59 02 00 00 
{264} normal block at 0x00000259FCCE6490, 16 bytes long.
 Data: <&#240;e&#206;&#252;Y           > F0 65 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000259FCCE6210, 16 bytes long.
 Data: <&#200;e&#206;&#252;Y           > C8 65 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000259FCCDFCE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000259FCCE5C20, 16 bytes long.
 Data: <&#160;e&#206;&#252;Y           > A0 65 CE FC 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000259FCCE65A0, 992 bytes long.
 Data: < \&#206;&#252;Y   &#224;&#252;&#205;&#252;Y   > 20 5C CE FC 59 02 00 00 E0 FC CD FC 59 02 00 00 
{96} normal block at 0x00000259FCCE0400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000259FCCDF260, 16 bytes long.
 Data: <&#224;&#240;&#204;&#252;Y           > E0 F0 CC FC 59 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000259FCCCF0E0, 40 bytes long.
 Data: <`&#242;&#205;&#252;Y     &#206;&#252;Y   > 60 F2 CD FC 59 02 00 00 00 04 CE FC 59 02 00 00 
{73} normal block at 0x00000259FCCDF080, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000259FCCDEB80, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000259FCCDEFE0, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000259FCCDF990, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000259FCCDEBD0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000259FCCDF030, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000259FCCDEC70, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000259FCCDEAE0, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000259FCCDF490, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000259FCCDF8A0, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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