Task 38683084

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6042_0
Workunit 31624664
Created 27 Oct 2026, 10:22:58 UTC
Sent 27 Oct 2026, 10:23:00 UTC
Report deadline 1 Nov 2026, 10:23:00 UTC
Received 27 Oct 2026, 10:54:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 30 min 8 sec
CPU time 27 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.78 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:24:24 (22984): wrapper (7.9.26016): starting
05:24:24 (22984): 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
05:24:26 (22984): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:24:26 (22984): 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\20\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\20\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
05:53:24 (22984): C:/Windows/system32/cmd.exe exited; CPU time 1633.609375
05:53:24 (22984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 31252051 bytes.
Dumping objects ->
{3835239} normal block at 0x0000014EE46417E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000014EE46418C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000014EE4641770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000014EE4641700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000014EE4641E00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000014EE61FB880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000014EE462F2F0, 255 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) : {3835150} normal block at 0x0000014EE463CBC0, 8 bytes long.
 Data: <  `&#228;N   > 00 00 60 E4 4E 01 00 00 
{3834551} normal block at 0x0000014EE462F1B0, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000014EE463CD50, 8 bytes long.
 Data: < X1&#230;N   > 00 58 31 E6 4E 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000014EE462F7F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014EE462A1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000014EE46429B0, 16 bytes long.
 Data: <&#248;5d&#228;N           > F8 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014EE4641F60, 16 bytes long.
 Data: <&#208;5d&#228;N           > D0 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014EE463D900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000014EE4642690, 16 bytes long.
 Data: <&#168;5d&#228;N           > A8 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014EE4642C80, 16 bytes long.
 Data: < 5d&#228;N           > 80 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014EE4642D70, 16 bytes long.
 Data: <X5d&#228;N           > 58 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014EE4642640, 16 bytes long.
 Data: <05d&#228;N           > 30 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014EE4641A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000014EE4642E60, 16 bytes long.
 Data: <&#248;&#215;b&#228;N           > F8 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014EE463DE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000014EE46428C0, 16 bytes long.
 Data: <&#208;&#215;b&#228;N           > D0 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014EE4642870, 16 bytes long.
 Data: <&#168;&#215;b&#228;N           > A8 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014EE46425A0, 16 bytes long.
 Data: < &#215;b&#228;N           > 80 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014EE4642D20, 16 bytes long.
 Data: <X&#215;b&#228;N           > 58 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014EE46423C0, 16 bytes long.
 Data: <0&#215;b&#228;N           > 30 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014EE4642550, 16 bytes long.
 Data: < &#215;b&#228;N           > 08 D7 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014EE463D780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000014EE4642370, 16 bytes long.
 Data: <&#224;&#214;b&#228;N           > E0 D6 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014EE462D6E0, 320 bytes long.
 Data: <p#d&#228;N    &#215;c&#228;N   > 70 23 64 E4 4E 01 00 00 80 D7 63 E4 4E 01 00 00 
{269} normal block at 0x0000014EE4642960, 16 bytes long.
 Data: < 5d&#228;N           > 10 35 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014EE4642320, 16 bytes long.
 Data: <&#232;4d&#228;N           > E8 34 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014EE463DBA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000014EE4642820, 16 bytes long.
 Data: <&#192;4d&#228;N           > C0 34 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014EE463DEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000014EE46422D0, 16 bytes long.
 Data: < 4d&#228;N           > 08 34 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014EE4642A00, 16 bytes long.
 Data: <&#224;3d&#228;N           > E0 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014EE4642280, 16 bytes long.
 Data: <&#184;3d&#228;N           > B8 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014EE4642140, 16 bytes long.
 Data: < 3d&#228;N           > 90 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014EE4642910, 16 bytes long.
 Data: <h3d&#228;N           > 68 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014EE46425F0, 16 bytes long.
 Data: <@3d&#228;N           > 40 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014EE4642230, 16 bytes long.
 Data: <` d&#228;N           > 60 1B 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014EE4641B60, 40 bytes long.
 Data: <0"d&#228;N    &#184; &#230;N   > 30 22 64 E4 4E 01 00 00 80 B8 1F E6 4E 01 00 00 
{255} normal block at 0x0000014EE4642500, 16 bytes long.
 Data: < 3d&#228;N           > 20 33 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014EE4642460, 16 bytes long.
 Data: <&#248;2d&#228;N           > F8 32 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000014EE463D960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000014EE46424B0, 16 bytes long.
 Data: <&#208;2d&#228;N           > D0 32 64 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000014EE46432D0, 992 bytes long.
 Data: <&#176;$d&#228;N   `&#217;c&#228;N   > B0 24 64 E4 4E 01 00 00 60 D9 63 E4 4E 01 00 00 
{87} normal block at 0x0000014EE463DB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000014EE463C530, 16 bytes long.
 Data: <&#160;&#174;b&#228;N           > A0 AE 62 E4 4E 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000014EE462AEA0, 40 bytes long.
 Data: <0&#197;c&#228;N   @&#219;c&#228;N   > 30 C5 63 E4 4E 01 00 00 40 DB 63 E4 4E 01 00 00 
{64} normal block at 0x0000014EE463D160, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014EE463D020, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014EE463CFD0, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014EE463CAD0, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014EE463C5D0, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014EE463C800, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014EE463C990, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014EE463C940, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014EE463CA80, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000014EE463CB70, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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