Task 38677927

Name test_163-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2144_0
Workunit 31619777
Created 26 Oct 2026, 15:50:58 UTC
Sent 26 Oct 2026, 15:51:01 UTC
Report deadline 31 Oct 2026, 15:51:01 UTC
Received 26 Oct 2026, 16:40:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 19 min 41 sec
CPU time 16 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 803.00 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:21:21 (28020): wrapper (7.9.26016): starting
17:21:21 (28020): 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
17:21:22 (28020): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:21:22 (28020): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
17:40:20 (28020): C:/Windows/system32/cmd.exe exited; CPU time 1013.171875
17:40:20 (28020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26315878 bytes.
Dumping objects ->
{3835471} normal block at 0x0000025A6B4EA330, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000025A6B4EA250, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000025A6B4C4BF0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000025A6B4C4B80, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000025A6B4C4B10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000025A6D2D9A40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000025A6D2EDE80, 85 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) : {3835382} normal block at 0x0000025A6B4BEAE0, 8 bytes long.
 Data: <  &#150;kZ   > 00 00 96 6B 5A 02 00 00 
{3834663} normal block at 0x0000025A6D2EDDE0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000025A6B4BF760, 8 bytes long.
 Data: <PCLkZ   > 50 43 4C 6B 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025A6B4C1710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000025A6B4B5840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000025A6B4C5DF0, 16 bytes long.
 Data: <hcLkZ           > 68 63 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025A6B4C5D00, 16 bytes long.
 Data: <@cLkZ           > 40 63 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025A6B4BD300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000025A6B4C5850, 16 bytes long.
 Data: < cLkZ           > 18 63 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025A6B4C53A0, 16 bytes long.
 Data: <&#240;bLkZ           > F0 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025A6B4C5DA0, 16 bytes long.
 Data: <&#200;bLkZ           > C8 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025A6B4C5D50, 16 bytes long.
 Data: <&#160;bLkZ           > A0 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025A6B4C4CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000025A6B4C5C60, 16 bytes long.
 Data: < &#184;JkZ           > 18 B8 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025A6B4BD900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000025A6B4C5F30, 16 bytes long.
 Data: <&#240;&#183;JkZ           > F0 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025A6B4C5260, 16 bytes long.
 Data: <&#200;&#183;JkZ           > C8 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025A6B4C56C0, 16 bytes long.
 Data: <&#160;&#183;JkZ           > A0 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025A6B4C5760, 16 bytes long.
 Data: <x&#183;JkZ           > 78 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A6B4C57B0, 16 bytes long.
 Data: <P&#183;JkZ           > 50 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025A6B4C5B70, 16 bytes long.
 Data: <(&#183;JkZ           > 28 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025A6B4BD660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000025A6B4C5210, 16 bytes long.
 Data: < &#183;JkZ           > 00 B7 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025A6B4AB700, 320 bytes long.
 Data: < RLkZ   `&#214;KkZ   > 10 52 4C 6B 5A 02 00 00 60 D6 4B 6B 5A 02 00 00 
{280} normal block at 0x0000025A6B4C50D0, 16 bytes long.
 Data: < bLkZ           > 80 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A6B4C5530, 16 bytes long.
 Data: <XbLkZ           > 58 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025A6B4BD600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000025A6B4C5AD0, 16 bytes long.
 Data: <0bLkZ           > 30 62 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025A6B4BDBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000025A6B4C58F0, 16 bytes long.
 Data: <xaLkZ           > 78 61 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025A6B4C5C10, 16 bytes long.
 Data: <PaLkZ           > 50 61 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025A6B4C5670, 16 bytes long.
 Data: <(aLkZ           > 28 61 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025A6B4C5B20, 16 bytes long.
 Data: < aLkZ           > 00 61 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025A6B4C5120, 16 bytes long.
 Data: <&#216;`LkZ           > D8 60 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A6B4C5080, 16 bytes long.
 Data: <&#176;`LkZ           > B0 60 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A6B4C5800, 16 bytes long.
 Data: <&#224;HLkZ           > E0 48 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025A6B4C48E0, 40 bytes long.
 Data: < XLkZ   @&#154;-mZ   > 00 58 4C 6B 5A 02 00 00 40 9A 2D 6D 5A 02 00 00 
{266} normal block at 0x0000025A6B4C5300, 16 bytes long.
 Data: < `LkZ           > 90 60 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025A6B4C5EE0, 16 bytes long.
 Data: <h`LkZ           > 68 60 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A6B4BDC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000025A6B4C5E40, 16 bytes long.
 Data: <@`LkZ           > 40 60 4C 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A6B4C6040, 992 bytes long.
 Data: <@^LkZ   `&#220;KkZ   > 40 5E 4C 6B 5A 02 00 00 60 DC 4B 6B 5A 02 00 00 
{98} normal block at 0x0000025A6B4BD6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000025A6B4BF710, 16 bytes long.
 Data: <&#224;&#213;JkZ           > E0 D5 4A 6B 5A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000025A6B4AD5E0, 40 bytes long.
 Data: < &#247;KkZ   &#192;&#214;KkZ   > 10 F7 4B 6B 5A 02 00 00 C0 D6 4B 6B 5A 02 00 00 
{75} normal block at 0x0000025A6B4BF120, 16 bytes long.
 Data: < &#234;j &#246;           > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000025A6B4BEBD0, 16 bytes long.
 Data: <@&#233;j &#246;           > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025A6B4BEEF0, 16 bytes long.
 Data: <&#248;Wg &#246;           > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025A6B4BF620, 16 bytes long.
 Data: <&#216;Wg &#246;           > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025A6B4BF3A0, 16 bytes long.
 Data: <P g &#246;           > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025A6B4BF440, 16 bytes long.
 Data: <0 g &#246;           > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025A6B4BE9A0, 16 bytes long.
 Data: <&#224; g &#246;           > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025A6B4BF7B0, 16 bytes long.
 Data: <  g &#246;           > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025A6B4BF2B0, 16 bytes long.
 Data: <p g &#246;           > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025A6B4BEC70, 16 bytes long.
 Data: < &#192;e &#246;           > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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