Task 38649444

Name test_571-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND9147_0
Workunit 31594086
Created 23 Oct 2026, 21:21:32 UTC
Sent 23 Oct 2026, 21:46:32 UTC
Report deadline 28 Oct 2026, 21:46:32 UTC
Received 24 Oct 2026, 1:27:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 51 min 3 sec
CPU time 48 min 7 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 691.90 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:37:41 (5284): wrapper (7.9.26016): starting
19:37:41 (5284): 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
19:37:42 (5284): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:37:42 (5284): 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\2\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\2\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
20:27:30 (5284): C:/Windows/system32/cmd.exe exited; CPU time 2887.468750
20:27:30 (5284): 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: 52156373 bytes.
Dumping objects ->
{3835229} normal block at 0x000001F78F91DA40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001F78DBE4F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001F78DBE4EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000001F78DBE5180, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001F78DBE4E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001F78F96B180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000001F78F97ED60, 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) : {3835140} normal block at 0x000001F78DBDDBE0, 8 bytes long.
 Data: <   &#142;&#247;   > 00 00 0D 8E F7 01 00 00 
{3834541} normal block at 0x000001F78F97EE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001F78DBDD500, 8 bytes long.
 Data: <&#160;&#229;&#203; &#247;   > A0 E5 CB 8D F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F78DBE1B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F78DBCF110, 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 0x000001F78DBE5A00, 16 bytes long.
 Data: <xi&#190; &#247;           > 78 69 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F78DBE6360, 16 bytes long.
 Data: <Pi&#190; &#247;           > 50 69 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F78DBDF780, 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 0x000001F78DBE5870, 16 bytes long.
 Data: <(i&#190; &#247;           > 28 69 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F78DBE6310, 16 bytes long.
 Data: < i&#190; &#247;           > 00 69 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F78DBE6130, 16 bytes long.
 Data: <&#216;h&#190; &#247;           > D8 68 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F78DBE5C80, 16 bytes long.
 Data: <&#176;h&#190; &#247;           > B0 68 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F78DBE50A0, 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 0x000001F78DBE5D20, 16 bytes long.
 Data: <  &#189; &#247;           > 98 8F BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F78DBDF660, 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 0x000001F78DBE6450, 16 bytes long.
 Data: <p &#189; &#247;           > 70 8F BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F78DBE59B0, 16 bytes long.
 Data: <H &#189; &#247;           > 48 8F BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F78DBE5E60, 16 bytes long.
 Data: <  &#189; &#247;           > 20 8F BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F78DBE5780, 16 bytes long.
 Data: <&#248;&#142;&#189; &#247;           > F8 8E BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F78DBE5C30, 16 bytes long.
 Data: <&#208;&#142;&#189; &#247;           > D0 8E BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F78DBE5820, 16 bytes long.
 Data: <&#168;&#142;&#189; &#247;           > A8 8E BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F78DBDF120, 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 0x000001F78DBE5FA0, 16 bytes long.
 Data: < &#142;&#189; &#247;           > 80 8E BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F78DBD8E80, 320 bytes long.
 Data: <&#160;_&#190; &#247;    &#241;&#189; &#247;   > A0 5F BE 8D F7 01 00 00 20 F1 BD 8D F7 01 00 00 
{277} normal block at 0x000001F78DBE5960, 16 bytes long.
 Data: < h&#190; &#247;           > 90 68 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F78DBE5910, 16 bytes long.
 Data: <hh&#190; &#247;           > 68 68 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F78DBDF0C0, 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 0x000001F78DBE5E10, 16 bytes long.
 Data: <@h&#190; &#247;           > 40 68 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F78DBDF5A0, 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 0x000001F78DBE64F0, 16 bytes long.
 Data: < g&#190; &#247;           > 88 67 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F78DBE6090, 16 bytes long.
 Data: <`g&#190; &#247;           > 60 67 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F78DBE62C0, 16 bytes long.
 Data: <8g&#190; &#247;           > 38 67 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F78DBE5AA0, 16 bytes long.
 Data: < g&#190; &#247;           > 10 67 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F78DBE6270, 16 bytes long.
 Data: <&#232;f&#190; &#247;           > E8 66 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F78DBE63B0, 16 bytes long.
 Data: <&#192;f&#190; &#247;           > C0 66 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F78DBE60E0, 16 bytes long.
 Data: <&#192;O&#190; &#247;           > C0 4F BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F78DBE4FC0, 40 bytes long.
 Data: <&#224;`&#190; &#247;    &#177;&#150; &#247;   > E0 60 BE 8D F7 01 00 00 80 B1 96 8F F7 01 00 00 
{263} normal block at 0x000001F78DBE6590, 16 bytes long.
 Data: <&#160;f&#190; &#247;           > A0 66 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F78DBE6220, 16 bytes long.
 Data: <xf&#190; &#247;           > 78 66 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F78DBDF000, 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 0x000001F78DBE5BE0, 16 bytes long.
 Data: <Pf&#190; &#247;           > 50 66 BE 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F78DBE6650, 992 bytes long.
 Data: <&#224;[&#190; &#247;    &#240;&#189; &#247;   > E0 5B BE 8D F7 01 00 00 00 F0 BD 8D F7 01 00 00 
{95} normal block at 0x000001F78DBDF9C0, 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 0x000001F78DBDDA00, 16 bytes long.
 Data: <@ &#189; &#247;           > 40 02 BD 8D F7 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F78DBD0240, 40 bytes long.
 Data: < &#218;&#189; &#247;   &#192;&#249;&#189; &#247;   > 00 DA BD 8D F7 01 00 00 C0 F9 BD 8D F7 01 00 00 
{72} normal block at 0x000001F78DBDDF00, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F78DBDD460, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F78DBDD410, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F78DBDD910, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F78DBDD230, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F78DBDD690, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F78DBDD320, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F78DBDD2D0, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F78DBDDA50, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F78DBDD370, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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