Task 38684136

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1008_0
Workunit 31625659
Created 27 Oct 2026, 14:52:00 UTC
Sent 27 Oct 2026, 14:52:05 UTC
Report deadline 1 Nov 2026, 14:52:05 UTC
Received 27 Oct 2026, 15:27:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 22 sec
CPU time 22 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.90 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:04:25 (22808): wrapper (7.9.26016): starting
16:04:25 (22808): 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
16:04:27 (22808): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:04:27 (22808): 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\6\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\6\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
16:27:07 (22808): C:/Windows/system32/cmd.exe exited; CPU time 1370.031250
16:27:07 (22808): 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: 23235401 bytes.
Dumping objects ->
{3835329} normal block at 0x00000214706C4DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x00000214706C5330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000214706C4F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x00000214706C51E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x00000214706C55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000214706CD3B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000002146EA5D8D0, 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) : {3835240} normal block at 0x000002146E9FD640, 8 bytes long.
 Data: <  &#245;n    > 00 00 F5 6E 14 02 00 00 
{3834594} normal block at 0x000002146EA5CBD0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002146E9FDFA0, 8 bytes long.
 Data: <P&#132;pp    > 50 84 70 70 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002146EA01260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002146E9F6000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002146EA06090, 16 bytes long.
 Data: <&#168;f&#160;n            > A8 66 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002146EA055A0, 16 bytes long.
 Data: < f&#160;n            > 80 66 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002146E9FF6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002146EA06130, 16 bytes long.
 Data: <Xf&#160;n            > 58 66 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002146EA060E0, 16 bytes long.
 Data: <0f&#160;n            > 30 66 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002146EA05FA0, 16 bytes long.
 Data: < f&#160;n            > 08 66 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002146EA05B90, 16 bytes long.
 Data: <&#224;e&#160;n            > E0 65 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002146EA03B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002146EA062C0, 16 bytes long.
 Data: <H&#235;&#158;n            > 48 EB 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002146E9FEC70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002146EA05910, 16 bytes long.
 Data: < &#235;&#158;n            > 20 EB 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002146EA061D0, 16 bytes long.
 Data: <&#248;&#234;&#158;n            > F8 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002146EA05F50, 16 bytes long.
 Data: <&#208;&#234;&#158;n            > D0 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002146EA06220, 16 bytes long.
 Data: <&#168;&#234;&#158;n            > A8 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002146EA06040, 16 bytes long.
 Data: < &#234;&#158;n            > 80 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002146EA05550, 16 bytes long.
 Data: <X&#234;&#158;n            > 58 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002146E9FF270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002146EA05730, 16 bytes long.
 Data: <0&#234;&#158;n            > 30 EA 9E 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002146E9EEA30, 320 bytes long.
 Data: <0W&#160;n    p&#242;&#159;n    > 30 57 A0 6E 14 02 00 00 70 F2 9F 6E 14 02 00 00 
{279} normal block at 0x000002146EA05F00, 16 bytes long.
 Data: <&#192;e&#160;n            > C0 65 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002146EA05EB0, 16 bytes long.
 Data: < e&#160;n            > 98 65 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002146E9FF8D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002146EA05870, 16 bytes long.
 Data: <pe&#160;n            > 70 65 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002146E9FF210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002146EA05460, 16 bytes long.
 Data: <&#184;d&#160;n            > B8 64 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002146EA05D20, 16 bytes long.
 Data: < d&#160;n            > 90 64 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002146EA05CD0, 16 bytes long.
 Data: <hd&#160;n            > 68 64 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002146EA05500, 16 bytes long.
 Data: <@d&#160;n            > 40 64 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002146EA05A50, 16 bytes long.
 Data: < d&#160;n            > 18 64 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002146EA05820, 16 bytes long.
 Data: <&#240;c&#160;n            > F0 63 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002146EA056E0, 16 bytes long.
 Data: < :&#160;n            > 90 3A A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002146EA03A90, 40 bytes long.
 Data: <&#224;V&#160;n    &#176;&#211;lp    > E0 56 A0 6E 14 02 00 00 B0 D3 6C 70 14 02 00 00 
{265} normal block at 0x000002146EA054B0, 16 bytes long.
 Data: <&#208;c&#160;n            > D0 63 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002146EA05E60, 16 bytes long.
 Data: <&#168;c&#160;n            > A8 63 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002146E9FF630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002146EA053C0, 16 bytes long.
 Data: < c&#160;n            > 80 63 A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002146EA06380, 992 bytes long.
 Data: <&#192;S&#160;n    0&#246;&#159;n    > C0 53 A0 6E 14 02 00 00 30 F6 9F 6E 14 02 00 00 
{97} normal block at 0x000002146E9FEC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002146E9FD550, 16 bytes long.
 Data: <P<&#160;n            > 50 3C A0 6E 14 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002146EA03C50, 40 bytes long.
 Data: <P&#213;&#159;n     &#236;&#159;n    > 50 D5 9F 6E 14 02 00 00 10 EC 9F 6E 14 02 00 00 
{74} normal block at 0x000002146E9FD4B0, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002146E9FDC80, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002146E9FDBE0, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002146E9FE090, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002146E9FD5F0, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002146E9FD8C0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002146E9FD190, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002146E9FDAA0, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002146E9FDA50, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002146E9FD280, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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