Task 38682839

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7289_0
Workunit 31624432
Created 27 Oct 2026, 9:20:34 UTC
Sent 27 Oct 2026, 9:20:35 UTC
Report deadline 1 Nov 2026, 9:20:35 UTC
Received 27 Oct 2026, 9:43:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 44 sec
CPU time 20 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.14 MB
Peak swap size 6.98 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:21:53 (55928): wrapper (7.9.26016): starting
02:21:53 (55928): 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
02:21:54 (55928): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:21:54 (55928): 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\1\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\1\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
02:42:45 (55928): C:/Windows/system32/cmd.exe exited; CPU time 1236.468750
02:42:45 (55928): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23374087 bytes.
Dumping objects ->
{3835219} normal block at 0x000001A8C01B5530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001A8C01B4FF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001A8C01B54C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001A8C01B5370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001A8C01B5300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001A8C1F0C1F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001A8C01FE5C0, 140 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) : {3835130} normal block at 0x000001A8C01AFB20, 8 bytes long.
 Data: <  m&#192;&#168;   > 00 00 6D C0 A8 01 00 00 
{3834533} normal block at 0x000001A8C01FE350, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001A8C01AF620, 8 bytes long.
 Data: <P&#169; &#192;&#168;   > 50 A9 1D C0 A8 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A8C01B12E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A8C01A6690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001A8C01B5FA0, 16 bytes long.
 Data: <xn &#192;&#168;           > 78 6E 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A8C01B6090, 16 bytes long.
 Data: <Pn &#192;&#168;           > 50 6E 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A8C01B0410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001A8C01B69F0, 16 bytes long.
 Data: <(n &#192;&#168;           > 28 6E 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A8C01B64F0, 16 bytes long.
 Data: < n &#192;&#168;           > 00 6E 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A8C01B5F50, 16 bytes long.
 Data: <&#216;m &#192;&#168;           > D8 6D 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A8C01B5D70, 16 bytes long.
 Data: <&#176;m &#192;&#168;           > B0 6D 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A8C01B55A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001A8C01B5CD0, 16 bytes long.
 Data: < &#148; &#192;&#168;           > 88 94 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A8C01B03B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001A8C01B65E0, 16 bytes long.
 Data: <`&#148; &#192;&#168;           > 60 94 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A8C01B6040, 16 bytes long.
 Data: <8&#148; &#192;&#168;           > 38 94 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A8C01B5FF0, 16 bytes long.
 Data: < &#148; &#192;&#168;           > 10 94 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A8C01B6130, 16 bytes long.
 Data: <&#232;&#147; &#192;&#168;           > E8 93 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A8C01B6630, 16 bytes long.
 Data: <&#192;&#147; &#192;&#168;           > C0 93 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A8C01B6540, 16 bytes long.
 Data: < &#147; &#192;&#168;           > 98 93 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A8C01B0B90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001A8C01B6770, 16 bytes long.
 Data: <p&#147; &#192;&#168;           > 70 93 1A C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A8C01A9370, 320 bytes long.
 Data: <pg &#192;&#168;      &#192;&#168;   > 70 67 1B C0 A8 01 00 00 90 0B 1B C0 A8 01 00 00 
{271} normal block at 0x000001A8C01B5E60, 16 bytes long.
 Data: < m &#192;&#168;           > 90 6D 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A8C01B5C80, 16 bytes long.
 Data: <hm &#192;&#168;           > 68 6D 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A8C01B0950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001A8C01B6180, 16 bytes long.
 Data: <@m &#192;&#168;           > 40 6D 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A8C01B0830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001A8C01B5D20, 16 bytes long.
 Data: < l &#192;&#168;           > 88 6C 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A8C01B5C30, 16 bytes long.
 Data: <`l &#192;&#168;           > 60 6C 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A8C01B5BE0, 16 bytes long.
 Data: <8l &#192;&#168;           > 38 6C 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A8C01B5F00, 16 bytes long.
 Data: < l &#192;&#168;           > 10 6C 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A8C01B6680, 16 bytes long.
 Data: <&#232;k &#192;&#168;           > E8 6B 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A8C01B5E10, 16 bytes long.
 Data: <&#192;k &#192;&#168;           > C0 6B 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A8C01B5B90, 16 bytes long.
 Data: <`P &#192;&#168;           > 60 50 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A8C01B5060, 40 bytes long.
 Data: < [ &#192;&#168;   &#240;&#193;&#240;&#193;&#168;   > 90 5B 1B C0 A8 01 00 00 F0 C1 F0 C1 A8 01 00 00 
{257} normal block at 0x000001A8C01B5EB0, 16 bytes long.
 Data: <&#160;k &#192;&#168;           > A0 6B 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A8C01B69A0, 16 bytes long.
 Data: <xk &#192;&#168;           > 78 6B 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A8C01B07D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001A8C01B68B0, 16 bytes long.
 Data: <Pk &#192;&#168;           > 50 6B 1B C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A8C01B6B50, 992 bytes long.
 Data: <&#176;h &#192;&#168;   &#208;  &#192;&#168;   > B0 68 1B C0 A8 01 00 00 D0 07 1B C0 A8 01 00 00 
{89} normal block at 0x000001A8C01B0770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001A8C01AF7B0, 16 bytes long.
 Data: < &#227; &#192;&#168;           > 10 E3 19 C0 A8 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001A8C019E310, 40 bytes long.
 Data: <&#176;&#247; &#192;&#168;   p  &#192;&#168;   > B0 F7 1A C0 A8 01 00 00 70 07 1B C0 A8 01 00 00 
{66} normal block at 0x000001A8C01AF440, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A8C01AFEE0, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A8C01AF3A0, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A8C01AF5D0, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A8C01AF9E0, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A8C01AF8F0, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A8C01AF170, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A8C01AFAD0, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A8C01AFA80, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A8C01AF800, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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