Task 38676097

Name test_572-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1562_0
Workunit 31618033
Created 26 Oct 2026, 10:14:19 UTC
Sent 26 Oct 2026, 10:14:23 UTC
Report deadline 31 Oct 2026, 10:14:23 UTC
Received 26 Oct 2026, 22:55:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593343
Run time 1 hours 7 min 13 sec
CPU time 1 hours 2 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.80 MB
Peak swap size 5.24 GB
Peak disk usage 3.34 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:49:52 (61720): wrapper (7.9.26016): starting
06:49:52 (61720): 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
06:49:54 (61720): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:49:54 (61720): 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 'E:\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 'E:\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
07:54:20 (61720): C:/Windows/system32/cmd.exe exited; CPU time 3749.531250
07:54:20 (61720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 87388743 bytes.
Dumping objects ->
{3835605} normal block at 0x0000028D1B1FBBB0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x0000028D1B1D5060, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835583} normal block at 0x0000028D1B1D4F80, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835572} normal block at 0x0000028D1B1D4EA0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835561} normal block at 0x0000028D1B1D4E30, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835530} normal block at 0x0000028D1D2D9610, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x0000028D1B22BBF0, 135 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) : {3835516} normal block at 0x0000028D1B1CF8E0, 8 bytes long.
 Data: <  o     > 00 00 6F 1B 8D 02 00 00 
{3834770} normal block at 0x0000028D1B22BF30, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834037} normal block at 0x0000028D1B1CEEE0, 8 bytes long.
 Data: < F3     > F0 46 33 1D 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000028D1B1CDBD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028D1B1C6140, 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 0x0000028D1B1D5DF0, 16 bytes long.
 Data: < m              > 18 6D 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D1B1D6520, 16 bytes long.
 Data: < l              > F0 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028D1B1D3FC0, 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 0x0000028D1B1D6840, 16 bytes long.
 Data: <&#200;l              > C8 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D1B1D64D0, 16 bytes long.
 Data: < l              > A0 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028D1B1D67F0, 16 bytes long.
 Data: <xl              > 78 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D1B1D66B0, 16 bytes long.
 Data: <Pl              > 50 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028D1B1D5370, 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 0x0000028D1B1D6250, 16 bytes long.
 Data: <&#184;               > B8 93 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D1B1D4500, 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 0x0000028D1B1D6750, 16 bytes long.
 Data: <                > 90 93 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D1B1D5E40, 16 bytes long.
 Data: <h               > 68 93 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D1B1D6070, 16 bytes long.
 Data: <@               > 40 93 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D1B1D6980, 16 bytes long.
 Data: <                > 18 93 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D1B1D5EE0, 16 bytes long.
 Data: <                > F0 92 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D1B1D6930, 16 bytes long.
 Data: <&#200;               > C8 92 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028D1B1D46E0, 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 0x0000028D1B1D5C10, 16 bytes long.
 Data: <                > A0 92 1C 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028D1B1C92A0, 320 bytes long.
 Data: < \       F      > 10 5C 1D 1B 8D 02 00 00 E0 46 1D 1B 8D 02 00 00 
{271} normal block at 0x0000028D1B1D6430, 16 bytes long.
 Data: <0l              > 30 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D1B1D6340, 16 bytes long.
 Data: < l              > 08 6C 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028D1B1D4800, 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 0x0000028D1B1D5B70, 16 bytes long.
 Data: < k              > E0 6B 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D1B1D3C60, 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 0x0000028D1B1D62F0, 16 bytes long.
 Data: <(k              > 28 6B 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D1B1D6200, 16 bytes long.
 Data: < k              > 00 6B 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D1B1D5DA0, 16 bytes long.
 Data: <&#216;j              > D8 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028D1B1D6390, 16 bytes long.
 Data: <&#176;j              > B0 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D1B1D6480, 16 bytes long.
 Data: < j              > 88 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028D1B1D5FD0, 16 bytes long.
 Data: <`j              > 60 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D1B1D63E0, 16 bytes long.
 Data: <&#192;M              > C0 4D 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028D1B1D4DC0, 40 bytes long.
 Data: < c        -     > E0 63 1D 1B 8D 02 00 00 10 96 2D 1D 8D 02 00 00 
{257} normal block at 0x0000028D1B1D61B0, 16 bytes long.
 Data: <@j              > 40 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028D1B1D5D00, 16 bytes long.
 Data: < j              > 18 6A 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028D1B1D3E40, 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 0x0000028D1B1D6890, 16 bytes long.
 Data: < i              > F0 69 1D 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000028D1B1D69F0, 992 bytes long.
 Data: < h      @>      > 90 68 1D 1B 8D 02 00 00 40 3E 1D 1B 8D 02 00 00 
{89} normal block at 0x0000028D1B1D4320, 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 0x0000028D1B1CF390, 16 bytes long.
 Data: <                > 80 F0 1B 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000028D1B1BF080, 40 bytes long.
 Data: <         C      > 90 F3 1C 1B 8D 02 00 00 20 43 1D 1B 8D 02 00 00 
{64} normal block at 0x0000028D1B1CF660, 16 bytes long.
 Data: <   )            > 80 EA F1 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D1B1CF4D0, 16 bytes long.
 Data: <@  )            > 40 E9 F1 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D1B1CF0C0, 16 bytes long.
 Data: < W )            > F8 57 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D1B1CEE90, 16 bytes long.
 Data: <&#216;W )            > D8 57 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028D1B1CF7F0, 16 bytes long.
 Data: <P  )            > 50 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028D1B1CED00, 16 bytes long.
 Data: <0  )            > 30 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028D1B1CF2F0, 16 bytes long.
 Data: <   )            > E0 02 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028D1B1CF480, 16 bytes long.
 Data: <   )            > 10 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028D1B1CFB60, 16 bytes long.
 Data: <p  )            > 70 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000028D1B1CF5C0, 16 bytes long.
 Data: < &#192; )            > 18 C0 EC 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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