Task 38687464

Name test_857-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5272_0
Workunit 31628854
Created 28 Oct 2026, 7:57:05 UTC
Sent 28 Oct 2026, 7:57:17 UTC
Report deadline 2 Nov 2026, 7:57:17 UTC
Received 28 Oct 2026, 11:00:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 29 min 3 sec
CPU time 1 hours 16 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.10 MB
Peak swap size 5.24 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:35:44 (21444): wrapper (7.9.26016): starting
02:35:44 (21444): 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
02:35:49 (21444): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:35:49 (21444): 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
04:00:15 (21444): C:/Windows/system32/cmd.exe exited; CPU time 4619.406250
04:00:15 (21444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 76421359 bytes.
Dumping objects ->
{3835221} normal block at 0x00000207AA6409B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000207AA641580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x00000207AA6408D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x00000207AA641740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000207AA640B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x00000207AA74C080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835133} normal block at 0x00000207A8CC5A90, 8 bytes long.
 Data: <  e&#170;    > 00 00 65 AA 07 02 00 00 
{3833949} normal block at 0x00000207A8CC6580, 8 bytes long.
 Data: <&#176;&#150;&#203;&#168;    > B0 96 CB A8 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000207A8CD0140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000207A8CBB320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000207A8CD1FE0, 16 bytes long.
 Data: < 7&#205;&#168;            > 88 37 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207A8CD1D10, 16 bytes long.
 Data: <`7&#205;&#168;            > 60 37 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207A8CCB480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000207A8CD1B30, 16 bytes long.
 Data: <87&#205;&#168;            > 38 37 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000207A8CD1810, 16 bytes long.
 Data: < 7&#205;&#168;            > 10 37 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207A8CD1310, 16 bytes long.
 Data: <&#232;6&#205;&#168;            > E8 36 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207A8CD1630, 16 bytes long.
 Data: <&#192;6&#205;&#168;            > C0 36 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000207A8CCCD00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000207A8CD15E0, 16 bytes long.
 Data: < &#191;&#203;&#168;            > 88 BF CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207A8CCAA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000207A8CD1220, 16 bytes long.
 Data: <`&#191;&#203;&#168;            > 60 BF CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207A8CD1590, 16 bytes long.
 Data: <8&#191;&#203;&#168;            > 38 BF CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207A8CD11D0, 16 bytes long.
 Data: < &#191;&#203;&#168;            > 10 BF CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207A8CD1E00, 16 bytes long.
 Data: <&#232;&#190;&#203;&#168;            > E8 BE CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207A8CD13B0, 16 bytes long.
 Data: <&#192;&#190;&#203;&#168;            > C0 BE CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000207A8CD1CC0, 16 bytes long.
 Data: < &#190;&#203;&#168;            > 98 BE CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207A8CCB360, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000207A8CD1F40, 16 bytes long.
 Data: <p&#190;&#203;&#168;            > 70 BE CB A8 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207A8CBBE70, 320 bytes long.
 Data: <@ &#205;&#168;    `&#179;&#204;&#168;    > 40 1F CD A8 07 02 00 00 60 B3 CC A8 07 02 00 00 
{270} normal block at 0x00000207A8CD1090, 16 bytes long.
 Data: <&#160;6&#205;&#168;            > A0 36 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000207A8CD1450, 16 bytes long.
 Data: <x6&#205;&#168;            > 78 36 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000207A8CCAE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000207A8CD10E0, 16 bytes long.
 Data: <P6&#205;&#168;            > 50 36 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000207A8CCB300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000207A8CD1A90, 16 bytes long.
 Data: < 5&#205;&#168;            > 98 35 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000207A8CD1A40, 16 bytes long.
 Data: <p5&#205;&#168;            > 70 35 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000207A8CD1540, 16 bytes long.
 Data: <H5&#205;&#168;            > 48 35 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000207A8CD1770, 16 bytes long.
 Data: < 5&#205;&#168;            > 20 35 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000207A8CD18B0, 16 bytes long.
 Data: <&#248;4&#205;&#168;            > F8 34 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000207A8CD1B80, 16 bytes long.
 Data: <&#208;4&#205;&#168;            > D0 34 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000207A8CD19F0, 16 bytes long.
 Data: < &#201;&#204;&#168;            > 10 C9 CC A8 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000207A8CCC910, 40 bytes long.
 Data: <&#240; &#205;&#168;     &#192;t&#170;    > F0 19 CD A8 07 02 00 00 80 C0 74 AA 07 02 00 00 
{256} normal block at 0x00000207A8CD1F90, 16 bytes long.
 Data: <&#176;4&#205;&#168;            > B0 34 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000207A8CD1EF0, 16 bytes long.
 Data: < 4&#205;&#168;            > 88 34 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000207A8CCB2A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000207A8CD16D0, 16 bytes long.
 Data: <`4&#205;&#168;            > 60 34 CD A8 07 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000207A8CD3460, 992 bytes long.
 Data: <&#208; &#205;&#168;    &#160;&#178;&#204;&#168;    > D0 16 CD A8 07 02 00 00 A0 B2 CC A8 07 02 00 00 
{88} normal block at 0x00000207A8CCB420, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000207A8CC6670, 16 bytes long.
 Data: < &#204;&#204;&#168;            > 20 CC CC A8 07 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000207A8CCCC20, 40 bytes long.
 Data: <pf&#204;&#168;     &#180;&#204;&#168;    > 70 66 CC A8 07 02 00 00 20 B4 CC A8 07 02 00 00 
{65} normal block at 0x00000207A8CC67B0, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000207A8CC5BD0, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000207A8CC5EF0, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000207A8CC6760, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000207A8CC6300, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000207A8CC6170, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000207A8CC6210, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000207A8CC6530, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000207A8CC6490, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000207A8CC63A0, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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