Task 38678020

Name test_485-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4607_2
Workunit 31619765
Created 26 Oct 2026, 16:07:45 UTC
Sent 26 Oct 2026, 16:07:47 UTC
Report deadline 31 Oct 2026, 16:07:47 UTC
Received 26 Oct 2026, 17:39:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 26 min 33 sec
CPU time 24 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 774.60 MB
Peak swap size 10.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:13:09 (2468): wrapper (7.9.26016): starting
19:13:09 (2468): 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
19:13:12 (2468): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:12 (2468): 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\0\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\0\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
19:38:55 (2468): C:/Windows/system32/cmd.exe exited; CPU time 1472.796875
19:38:55 (2468): 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: 25843505 bytes.
Dumping objects ->
{3835317} normal block at 0x0000026DD3DB54A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x0000026DD3DB5430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000026DD3DB5200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x0000026DD3DB5270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000026DD3DB5350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x0000026DD5B36880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000026DD5B4ECB0, 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) : {3835228} normal block at 0x0000026DD3DAF7D0, 8 bytes long.
 Data: <  &#215;&#211;m   > 00 00 D7 D3 6D 02 00 00 
{3834592} normal block at 0x0000026DD5B4F180, 102 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 0x0000026DD3DAFA50, 8 bytes long.
 Data: <0&#212;&#232;&#211;m   > 30 D4 E8 D3 6D 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026DD3DB10A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026DD3DA5E40, 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 0x0000026DD3DB61D0, 16 bytes long.
 Data: <xi&#219;&#211;m           > 78 69 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026DD3DB5870, 16 bytes long.
 Data: <Pi&#219;&#211;m           > 50 69 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026DD3DAD7B0, 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 0x0000026DD3DB5D20, 16 bytes long.
 Data: <(i&#219;&#211;m           > 28 69 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026DD3DB5CD0, 16 bytes long.
 Data: < i&#219;&#211;m           > 00 69 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026DD3DB56E0, 16 bytes long.
 Data: <&#216;h&#219;&#211;m           > D8 68 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026DD3DB5820, 16 bytes long.
 Data: <&#176;h&#219;&#211;m           > B0 68 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026DD3DB53C0, 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 0x0000026DD3DB5FA0, 16 bytes long.
 Data: <8&#143;&#218;&#211;m           > 38 8F DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026DD3DAE0B0, 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 0x0000026DD3DB57D0, 16 bytes long.
 Data: < &#143;&#218;&#211;m           > 10 8F DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026DD3DB5B40, 16 bytes long.
 Data: <&#232; &#218;&#211;m           > E8 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026DD3DB5AA0, 16 bytes long.
 Data: <&#192; &#218;&#211;m           > C0 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026DD3DB5BE0, 16 bytes long.
 Data: <  &#218;&#211;m           > 98 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026DD3DB5A50, 16 bytes long.
 Data: <p &#218;&#211;m           > 70 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026DD3DB5690, 16 bytes long.
 Data: <H &#218;&#211;m           > 48 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026DD3DAE170, 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 0x0000026DD3DB5F00, 16 bytes long.
 Data: <  &#218;&#211;m           > 20 8E DA D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026DD3DA8E20, 320 bytes long.
 Data: < _&#219;&#211;m   p&#225;&#218;&#211;m   > 00 5F DB D3 6D 02 00 00 70 E1 DA D3 6D 02 00 00 
{280} normal block at 0x0000026DD3DB6590, 16 bytes long.
 Data: < h&#219;&#211;m           > 90 68 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026DD3DB5B90, 16 bytes long.
 Data: <hh&#219;&#211;m           > 68 68 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026DD3DADAB0, 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 0x0000026DD3DB5C80, 16 bytes long.
 Data: <@h&#219;&#211;m           > 40 68 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026DD3DADC30, 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 0x0000026DD3DB64A0, 16 bytes long.
 Data: < g&#219;&#211;m           > 88 67 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026DD3DB5C30, 16 bytes long.
 Data: <`g&#219;&#211;m           > 60 67 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026DD3DB5EB0, 16 bytes long.
 Data: <8g&#219;&#211;m           > 38 67 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026DD3DB5910, 16 bytes long.
 Data: < g&#219;&#211;m           > 10 67 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026DD3DB6220, 16 bytes long.
 Data: <&#232;f&#219;&#211;m           > E8 66 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026DD3DB6090, 16 bytes long.
 Data: <&#192;f&#219;&#211;m           > C0 66 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026DD3DB6540, 16 bytes long.
 Data: <&#224;R&#219;&#211;m           > E0 52 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026DD3DB52E0, 40 bytes long.
 Data: <@e&#219;&#211;m    h&#179;&#213;m   > 40 65 DB D3 6D 02 00 00 80 68 B3 D5 6D 02 00 00 
{266} normal block at 0x0000026DD3DB64F0, 16 bytes long.
 Data: <&#160;f&#219;&#211;m           > A0 66 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026DD3DB5AF0, 16 bytes long.
 Data: <xf&#219;&#211;m           > 78 66 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026DD3DADE10, 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 0x0000026DD3DB65E0, 16 bytes long.
 Data: <Pf&#219;&#211;m           > 50 66 DB D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026DD3DB6650, 992 bytes long.
 Data: <&#224;e&#219;&#211;m    &#222;&#218;&#211;m   > E0 65 DB D3 6D 02 00 00 10 DE DA D3 6D 02 00 00 
{98} normal block at 0x0000026DD3DAE230, 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 0x0000026DD3DAF690, 16 bytes long.
 Data: <&#192;&#225;&#217;&#211;m           > C0 E1 D9 D3 6D 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000026DD3D9E1C0, 40 bytes long.
 Data: < &#246;&#218;&#211;m   0&#226;&#218;&#211;m   > 90 F6 DA D3 6D 02 00 00 30 E2 DA D3 6D 02 00 00 
{75} normal block at 0x0000026DD3DAF0A0, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026DD3DAF780, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026DD3DAFC80, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026DD3DAFB90, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026DD3DAF960, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026DD3DAF050, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026DD3DAFD70, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026DD3DAF9B0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026DD3DAF910, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026DD3DAF8C0, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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