Task 38683140

Name test_104-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7488_0
Workunit 31624719
Created 27 Oct 2026, 10:36:30 UTC
Sent 27 Oct 2026, 10:36:37 UTC
Report deadline 1 Nov 2026, 10:36:37 UTC
Received 27 Oct 2026, 11:09:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 29 sec
CPU time 29 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.17 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:38:03 (14080): wrapper (7.9.26016): starting
05:38:03 (14080): 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
05:38:06 (14080): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:38:06 (14080): 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\14\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\14\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
06:09:16 (14080): C:/Windows/system32/cmd.exe exited; CPU time 1791.953125
06:09:16 (14080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 41370251 bytes.
Dumping objects ->
{3835265} normal block at 0x000002EC8BE5C9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002EC8A164C50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000002EC8A164B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x000002EC8A164BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000002EC8A164EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x000002EC8BEA63F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835177} normal block at 0x000002EC8A15EBE0, 8 bytes long.
 Data: <  u&#138;&#236;   > 00 00 75 8A EC 02 00 00 
{3833963} normal block at 0x000002EC8A15F4A0, 8 bytes long.
 Data: <0&#223;&#235;&#139;&#236;   > 30 DF EB 8B EC 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002EC8A160A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002EC8A156CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002EC8A166180, 16 bytes long.
 Data: <8h &#138;&#236;           > 38 68 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002EC8A166450, 16 bytes long.
 Data: < h &#138;&#236;           > 10 68 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EC8A1605B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002EC8A166040, 16 bytes long.
 Data: <&#232;g &#138;&#236;           > E8 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002EC8A165A50, 16 bytes long.
 Data: <&#192;g &#138;&#236;           > C0 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EC8A165A00, 16 bytes long.
 Data: < g &#138;&#236;           > 98 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EC8A165FF0, 16 bytes long.
 Data: <pg &#138;&#236;           > 70 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002EC8A164CC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002EC8A165B40, 16 bytes long.
 Data: <&#248;&#182; &#138;&#236;           > F8 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002EC8A15FB90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002EC8A165FA0, 16 bytes long.
 Data: <&#208;&#182; &#138;&#236;           > D0 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EC8A165F50, 16 bytes long.
 Data: <&#168;&#182; &#138;&#236;           > A8 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EC8A1659B0, 16 bytes long.
 Data: < &#182; &#138;&#236;           > 80 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EC8A165960, 16 bytes long.
 Data: <X&#182; &#138;&#236;           > 58 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EC8A165F00, 16 bytes long.
 Data: <0&#182; &#138;&#236;           > 30 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EC8A165910, 16 bytes long.
 Data: < &#182; &#138;&#236;           > 08 B6 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EC8A15FEF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002EC8A165DC0, 16 bytes long.
 Data: <&#224;&#181; &#138;&#236;           > E0 B5 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002EC8A14B5E0, 320 bytes long.
 Data: <&#192;] &#138;&#236;   &#240;&#254; &#138;&#236;   > C0 5D 16 8A EC 02 00 00 F0 FE 15 8A EC 02 00 00 
{277} normal block at 0x000002EC8A165C80, 16 bytes long.
 Data: <Pg &#138;&#236;           > 50 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002EC8A165AF0, 16 bytes long.
 Data: <(g &#138;&#236;           > 28 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EC8A15FB30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002EC8A165D70, 16 bytes long.
 Data: < g &#138;&#236;           > 00 67 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002EC8A160250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002EC8A165CD0, 16 bytes long.
 Data: <Hf &#138;&#236;           > 48 66 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002EC8A1658C0, 16 bytes long.
 Data: < f &#138;&#236;           > 20 66 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EC8A165820, 16 bytes long.
 Data: <&#248;e &#138;&#236;           > F8 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EC8A165D20, 16 bytes long.
 Data: <&#208;e &#138;&#236;           > D0 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EC8A165870, 16 bytes long.
 Data: <&#168;e &#138;&#236;           > A8 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EC8A165EB0, 16 bytes long.
 Data: < e &#138;&#236;           > 80 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002EC8A165E60, 16 bytes long.
 Data: <&#160;M &#138;&#236;           > A0 4D 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EC8A164DA0, 40 bytes long.
 Data: <`^ &#138;&#236;   &#240;c&#234;&#139;&#236;   > 60 5E 16 8A EC 02 00 00 F0 63 EA 8B EC 02 00 00 
{263} normal block at 0x000002EC8A166130, 16 bytes long.
 Data: <`e &#138;&#236;           > 60 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002EC8A1660E0, 16 bytes long.
 Data: <8e &#138;&#236;           > 38 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EC8A15FFB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002EC8A1664A0, 16 bytes long.
 Data: < e &#138;&#236;           > 10 65 16 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002EC8A166510, 992 bytes long.
 Data: <&#160;d &#138;&#236;   &#176;&#255; &#138;&#236;   > A0 64 16 8A EC 02 00 00 B0 FF 15 8A EC 02 00 00 
{95} normal block at 0x000002EC8A160010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002EC8A15F360, 16 bytes long.
 Data: <P&#231; &#138;&#236;           > 50 E7 14 8A EC 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002EC8A14E750, 40 bytes long.
 Data: <`&#243; &#138;&#236;      &#138;&#236;   > 60 F3 15 8A EC 02 00 00 10 00 16 8A EC 02 00 00 
{72} normal block at 0x000002EC8A15F2C0, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002EC8A15F270, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EC8A15EB90, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EC8A15F720, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EC8A15EB40, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EC8A15F630, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EC8A15EAF0, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EC8A15F220, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EC8A15F4F0, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002EC8A15EAA0, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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