Task 38675727

Name test_316-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1032_0
Workunit 31617684
Created 26 Oct 2026, 9:08:32 UTC
Sent 26 Oct 2026, 9:08:41 UTC
Report deadline 31 Oct 2026, 9:08:41 UTC
Received 26 Oct 2026, 9:39:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 29 min 45 sec
CPU time 27 min 21 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 706.37 MB
Peak swap size 8.46 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:10:13 (23524): wrapper (7.9.26016): starting
04:10:13 (23524): 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
04:10:15 (23524): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:10:15 (23524): 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
04:38:50 (23524): C:/Windows/system32/cmd.exe exited; CPU time 1641.593750
04:38:50 (23524): 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: 31006643 bytes.
Dumping objects ->
{3835239} normal block at 0x0000019A2B0B2910, 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 0x0000019A2B0B28A0, 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 0x0000019A2B0B2C20, 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 0x0000019A2B0B26E0, 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 0x0000019A2B0B2D70, 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 0x0000019A2CDDD090, 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 0x0000019A2B09F6F0, 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 0x0000019A2B0AD8B0, 8 bytes long.
 Data: <  &#192;,&#154;   > 00 00 C0 2C 9A 01 00 00 
{3834551} normal block at 0x0000019A2B0A0230, 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 0x0000019A2B0AD040, 8 bytes long.
 Data: <`&#235; +&#154;   > 60 EB 18 2B 9A 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000019A2B0A00F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019A2B09B7F0, 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 0x0000019A2B0B3A00, 16 bytes long.
 Data: <&#184;E +&#154;           > B8 45 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019A2B0B3320, 16 bytes long.
 Data: < E +&#154;           > 90 45 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019A2B0AE720, 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 0x0000019A2B0B39B0, 16 bytes long.
 Data: <hE +&#154;           > 68 45 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019A2B0B3D70, 16 bytes long.
 Data: <@E +&#154;           > 40 45 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019A2B0B3370, 16 bytes long.
 Data: < E +&#154;           > 18 45 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019A2B0B3960, 16 bytes long.
 Data: <&#240;D +&#154;           > F0 44 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019A2B0B27C0, 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 0x0000019A2B0B33C0, 16 bytes long.
 Data: < &#206; +&#154;           > 98 CE 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019A2B0AE1E0, 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 0x0000019A2B0B3D20, 16 bytes long.
 Data: <p&#206; +&#154;           > 70 CE 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019A2B0B4220, 16 bytes long.
 Data: <H&#206; +&#154;           > 48 CE 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019A2B0B3FF0, 16 bytes long.
 Data: < &#206; +&#154;           > 20 CE 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019A2B0B3FA0, 16 bytes long.
 Data: <&#248;&#205; +&#154;           > F8 CD 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019A2B0B4130, 16 bytes long.
 Data: <&#208;&#205; +&#154;           > D0 CD 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019A2B0B3CD0, 16 bytes long.
 Data: <&#168;&#205; +&#154;           > A8 CD 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019A2B0AE420, 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 0x0000019A2B0B3C30, 16 bytes long.
 Data: < &#205; +&#154;           > 80 CD 0A 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019A2B0ACD80, 320 bytes long.
 Data: <0< +&#154;    &#228; +&#154;   > 30 3C 0B 2B 9A 01 00 00 20 E4 0A 2B 9A 01 00 00 
{269} normal block at 0x0000019A2B0B3F50, 16 bytes long.
 Data: <&#208;D +&#154;           > D0 44 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019A2B0B3F00, 16 bytes long.
 Data: <&#168;D +&#154;           > A8 44 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019A2B0AE900, 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 0x0000019A2B0B4090, 16 bytes long.
 Data: < D +&#154;           > 80 44 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019A2B0AE2A0, 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 0x0000019A2B0B3AF0, 16 bytes long.
 Data: <&#200;C +&#154;           > C8 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019A2B0B3730, 16 bytes long.
 Data: <&#160;C +&#154;           > A0 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019A2B0B3870, 16 bytes long.
 Data: <xC +&#154;           > 78 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019A2B0B3AA0, 16 bytes long.
 Data: <PC +&#154;           > 50 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019A2B0B3BE0, 16 bytes long.
 Data: <(C +&#154;           > 28 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019A2B0B3B90, 16 bytes long.
 Data: < C +&#154;           > 00 43 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019A2B0B3DC0, 16 bytes long.
 Data: <@+ +&#154;           > 40 2B 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019A2B0B2B40, 40 bytes long.
 Data: <&#192;= +&#154;    &#208;&#221;,&#154;   > C0 3D 0B 2B 9A 01 00 00 90 D0 DD 2C 9A 01 00 00 
{255} normal block at 0x0000019A2B0B3820, 16 bytes long.
 Data: <&#224;B +&#154;           > E0 42 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019A2B0B4040, 16 bytes long.
 Data: <&#184;B +&#154;           > B8 42 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019A2B0AE8A0, 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 0x0000019A2B0B3910, 16 bytes long.
 Data: < B +&#154;           > 90 42 0B 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000019A2B0B4290, 992 bytes long.
 Data: < 9 +&#154;   &#160;&#232; +&#154;   > 10 39 0B 2B 9A 01 00 00 A0 E8 0A 2B 9A 01 00 00 
{87} normal block at 0x0000019A2B0AE840, 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 0x0000019A2B0AD770, 16 bytes long.
 Data: <`&#207;	+&#154;           > 60 CF 09 2B 9A 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000019A2B09CF60, 40 bytes long.
 Data: <p&#215; +&#154;   @&#232; +&#154;   > 70 D7 0A 2B 9A 01 00 00 40 E8 0A 2B 9A 01 00 00 
{64} normal block at 0x0000019A2B0ADE00, 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 0x0000019A2B0AD270, 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 0x0000019A2B0AD950, 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 0x0000019A2B0AD6D0, 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 0x0000019A2B0AD860, 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 0x0000019A2B0AD590, 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 0x0000019A2B0AD2C0, 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 0x0000019A2B0ADF40, 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 0x0000019A2B0AD720, 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 0x0000019A2B0ACFF0, 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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