Task 38679930

Name test_507-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9731_1
Workunit 31619703
Created 26 Oct 2026, 22:13:26 UTC
Sent 26 Oct 2026, 22:13:38 UTC
Report deadline 31 Oct 2026, 22:13:38 UTC
Received 27 Oct 2026, 4:05:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 56 sec
CPU time 1 hours 42 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.40 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:19:44 (14840): wrapper (7.9.26016): starting
22:19:44 (14840): 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
22:19:47 (14840): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:19:47 (14840): 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\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 'C:\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: Exiting with failure status due to previous errors
00:05:02 (14840): C:/Windows/system32/cmd.exe exited; CPU time 6161.828125
00:05:02 (14840): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 78210523 bytes.
Dumping objects ->
{3835209} normal block at 0x00000239FCED4FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000239FCED52C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000239FCED51E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x00000239FCED4E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000239FCED5170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x00000239FEA4C650, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x00000239FEAADF60, 102 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) : {3835120} normal block at 0x00000239FCEA5D60, 8 bytes long.
 Data: <  &#132;&#254;9   > 00 00 84 FE 39 02 00 00 
{3834523} normal block at 0x00000239FEAAE590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000239FCEA52C0, 8 bytes long.
 Data: <&#176;W&#154;&#254;9   > B0 57 9A FE 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000239FCEB0670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000239FCE95BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000239FCEB23D0, 16 bytes long.
 Data: < )&#235;&#252;9           > 18 29 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000239FCEB1E80, 16 bytes long.
 Data: <&#240;(&#235;&#252;9           > F0 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000239FCEA67D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000239FCEB1AC0, 16 bytes long.
 Data: <&#200;(&#235;&#252;9           > C8 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000239FCEB15C0, 16 bytes long.
 Data: <&#160;(&#235;&#252;9           > A0 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000239FCEB1570, 16 bytes long.
 Data: <x(&#235;&#252;9           > 78 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239FCEB2380, 16 bytes long.
 Data: <P(&#235;&#252;9           > 50 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239FCEAB1C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000239FCEB1A70, 16 bytes long.
 Data: < [&#233;&#252;9           > 88 5B E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239FCEA63B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000239FCEB1A20, 16 bytes long.
 Data: <`[&#233;&#252;9           > 60 5B E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000239FCEB1700, 16 bytes long.
 Data: <8[&#233;&#252;9           > 38 5B E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000239FCEB1CA0, 16 bytes long.
 Data: < [&#233;&#252;9           > 10 5B E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000239FCEB1930, 16 bytes long.
 Data: <&#232;Z&#233;&#252;9           > E8 5A E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239FCEB1520, 16 bytes long.
 Data: <&#192;Z&#233;&#252;9           > C0 5A E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239FCEB14D0, 16 bytes long.
 Data: < Z&#233;&#252;9           > 98 5A E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000239FCEA6770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000239FCEB1B60, 16 bytes long.
 Data: <pZ&#233;&#252;9           > 70 5A E9 FC 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000239FCE95A70, 320 bytes long.
 Data: <` &#235;&#252;9   pg&#234;&#252;9   > 60 1B EB FC 39 02 00 00 70 67 EA FC 39 02 00 00 
{268} normal block at 0x00000239FCEB1480, 16 bytes long.
 Data: <0(&#235;&#252;9           > 30 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239FCEB18E0, 16 bytes long.
 Data: < (&#235;&#252;9           > 08 28 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000239FCEA6D70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000239FCEB1610, 16 bytes long.
 Data: <&#224;'&#235;&#252;9           > E0 27 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000239FCEA6E90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000239FCEB19D0, 16 bytes long.
 Data: <('&#235;&#252;9           > 28 27 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239FCEB1F70, 16 bytes long.
 Data: < '&#235;&#252;9           > 00 27 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000239FCEB1D90, 16 bytes long.
 Data: <&#216;&&#235;&#252;9           > D8 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000239FCEB1980, 16 bytes long.
 Data: <&#176;&&#235;&#252;9           > B0 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000239FCEB1E30, 16 bytes long.
 Data: < &&#235;&#252;9           > 88 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000239FCEB1C50, 16 bytes long.
 Data: <`&&#235;&#252;9           > 60 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000239FCEB2010, 16 bytes long.
 Data: < &#172;&#234;&#252;9           > 80 AC EA FC 39 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000239FCEAAC80, 40 bytes long.
 Data: <  &#235;&#252;9   P&#198;&#164;&#254;9   > 10 20 EB FC 39 02 00 00 50 C6 A4 FE 39 02 00 00 
{254} normal block at 0x00000239FCEB2330, 16 bytes long.
 Data: <@&&#235;&#252;9           > 40 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000239FCEB1ED0, 16 bytes long.
 Data: < &&#235;&#252;9           > 18 26 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000239FCEA6350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000239FCEB22E0, 16 bytes long.
 Data: <&#240;%&#235;&#252;9           > F0 25 EB FC 39 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000239FCEB25F0, 992 bytes long.
 Data: <&#224;"&#235;&#252;9   Pc&#234;&#252;9   > E0 22 EB FC 39 02 00 00 50 63 EA FC 39 02 00 00 
{86} normal block at 0x00000239FCEA5FF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000239FCEA5D10, 16 bytes long.
 Data: <&#160;&#178;&#234;&#252;9           > A0 B2 EA FC 39 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000239FCEAB2A0, 40 bytes long.
 Data: < ]&#234;&#252;9   &#240;_&#234;&#252;9   > 10 5D EA FC 39 02 00 00 F0 5F EA FC 39 02 00 00 
{63} normal block at 0x00000239FCEA5C20, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000239FCEA5090, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000239FCEA5720, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000239FCEA5A40, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000239FCEA5220, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000239FCEA54A0, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000239FCEA5400, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000239FCEA5E00, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000239FCEA5270, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000239FCEA5770, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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