Task 38661113

Name test_299-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5988_0
Workunit 31604557
Created 24 Oct 2026, 15:14:23 UTC
Sent 24 Oct 2026, 16:34:14 UTC
Report deadline 29 Oct 2026, 16:34:14 UTC
Received 24 Oct 2026, 21:06:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 1 hours 4 min 34 sec
CPU time 1 hours 4 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.80 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:04:32 (5364): wrapper (7.9.26016): starting
04:04:32 (5364): 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
04:04:33 (5364): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:04:33 (5364): 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\11\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\11\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
05:12:08 (5364): C:/Windows/system32/cmd.exe exited; CPU time 3874.187500
05:12:08 (5364): 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: 63897123 bytes.
Dumping objects ->
{3835659} normal block at 0x000001E725A5A3A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x000001E725A59E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x000001E723A44CD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x000001E723A44C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x000001E723A44950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x000001E725A48C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x000001E725A5E630, 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) : {3835570} normal block at 0x000001E723A3EC20, 8 bytes long.
 Data: <  G%    > 00 00 47 25 E7 01 00 00 
{3834789} normal block at 0x000001E725A5E000, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001E723A3F300, 8 bytes long.
 Data: < ?&#170;%    > A0 3F AA 25 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E723A412D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E723A36370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E723A45F60, 16 bytes long.
 Data: <Xg&#164;#            > 58 67 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E723A45BF0, 16 bytes long.
 Data: <0g&#164;#            > 30 67 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E723A3FD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E723A456A0, 16 bytes long.
 Data: < g&#164;#            > 08 67 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E723A45470, 16 bytes long.
 Data: < f&#164;#            > E0 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E723A45650, 16 bytes long.
 Data: <&#184;f&#164;#            > B8 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E723A46000, 16 bytes long.
 Data: < f&#164;#            > 90 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E723A44B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E723A45600, 16 bytes long.
 Data: <  &#162;#            > 08 E7 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E723A403E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E723A456F0, 16 bytes long.
 Data: <  &#162;#            > E0 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E723A45BA0, 16 bytes long.
 Data: <&#184; &#162;#            > B8 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E723A462D0, 16 bytes long.
 Data: <  &#162;#            > 90 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E723A45830, 16 bytes long.
 Data: <h &#162;#            > 68 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E723A46230, 16 bytes long.
 Data: <@ &#162;#            > 40 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E723A458D0, 16 bytes long.
 Data: <  &#162;#            > 18 E6 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E723A40260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E723A45C40, 16 bytes long.
 Data: <  &#162;#            > F0 E5 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E723A2E5F0, 320 bytes long.
 Data: <@\&#164;#    ` &#164;#    > 40 5C A4 23 E7 01 00 00 60 02 A4 23 E7 01 00 00 
{277} normal block at 0x000001E723A45F10, 16 bytes long.
 Data: <pf&#164;#            > 70 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E723A459C0, 16 bytes long.
 Data: <Hf&#164;#            > 48 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E723A40140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E723A45B00, 16 bytes long.
 Data: < f&#164;#            > 20 66 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E723A3F9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E723A45560, 16 bytes long.
 Data: <he&#164;#            > 68 65 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E723A461E0, 16 bytes long.
 Data: <@e&#164;#            > 40 65 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E723A463C0, 16 bytes long.
 Data: < e&#164;#            > 18 65 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E723A45CE0, 16 bytes long.
 Data: < d&#164;#            > F0 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E723A45EC0, 16 bytes long.
 Data: <&#200;d&#164;#            > C8 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E723A45B50, 16 bytes long.
 Data: < d&#164;#            > A0 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E723A45C90, 16 bytes long.
 Data: <0J&#164;#            > 30 4A A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E723A44A30, 40 bytes long.
 Data: < \&#164;#      &#164;%    > 90 5C A4 23 E7 01 00 00 00 8C A4 25 E7 01 00 00 
{263} normal block at 0x000001E723A45FB0, 16 bytes long.
 Data: < d&#164;#            > 80 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E723A45E20, 16 bytes long.
 Data: <Xd&#164;#            > 58 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E723A40380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E723A45AB0, 16 bytes long.
 Data: <0d&#164;#            > 30 64 A4 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E723A46430, 992 bytes long.
 Data: <&#176;Z&#164;#      &#164;#    > B0 5A A4 23 E7 01 00 00 80 03 A4 23 E7 01 00 00 
{95} normal block at 0x000001E723A40200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E723A3EDB0, 16 bytes long.
 Data: < &#211;&#162;#            > A0 D3 A2 23 E7 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E723A2D3A0, 40 bytes long.
 Data: <&#176; &#163;#      &#164;#    > B0 ED A3 23 E7 01 00 00 00 02 A4 23 E7 01 00 00 
{70} normal block at 0x000001E723A3F530, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E723A3F3F0, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E723A3E9A0, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E723A3F4E0, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E723A3EB30, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E723A3EB80, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E723A3F260, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E723A3F210, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E723A3F1C0, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E723A3F2B0, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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