Task 38680987

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3331_1
Workunit 31621953
Created 27 Oct 2026, 2:12:10 UTC
Sent 27 Oct 2026, 2:12:13 UTC
Report deadline 1 Nov 2026, 2:12:13 UTC
Received 27 Oct 2026, 4:17:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 57 min 47 sec
CPU time 52 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.66 MB
Peak swap size 18.78 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:21:27 (2748): wrapper (7.9.26016): starting
05:21:27 (2748): 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
05:21:30 (2748): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:21:30 (2748): 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\1\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\1\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
06:17:23 (2748): C:/Windows/system32/cmd.exe exited; CPU time 3142.656250
06:17:23 (2748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 55455803 bytes.
Dumping objects ->
{3835247} normal block at 0x00000226E3806E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000226E3806EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000226E3806570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000226E38068F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000226E3806B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x00000226E56B2BE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000226E5713DF0, 180 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) : {3835157} normal block at 0x00000226E37D7A70, 8 bytes long.
 Data: <  1&#229;&   > 00 00 31 E5 26 02 00 00 
{3834550} normal block at 0x00000226E5713EE0, 180 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 0x00000226E37D6FD0, 8 bytes long.
 Data: <p^l&#229;&   > 70 5E 6C E5 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000226E37DCC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000226E37CB270, 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 0x00000226E37E23B0, 16 bytes long.
 Data: <&#184;?~&#227;&           > B8 3F 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000226E37E2310, 16 bytes long.
 Data: <&#144;?~&#227;&           > 90 3F 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000226E37DDB00, 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 0x00000226E37E1FF0, 16 bytes long.
 Data: <h?~&#227;&           > 68 3F 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000226E37E1C30, 16 bytes long.
 Data: <@?~&#227;&           > 40 3F 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000226E37E1A00, 16 bytes long.
 Data: < ?~&#227;&           > 18 3F 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000226E37E22C0, 16 bytes long.
 Data: <&#240;>~&#227;&           > F0 3E 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000226E37DBEB0, 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 0x00000226E37E2270, 16 bytes long.
 Data: <8&#188;|&#227;&           > 38 BC 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226E37DDC80, 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 0x00000226E37E2220, 16 bytes long.
 Data: < &#188;|&#227;&           > 10 BC 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226E37E1B90, 16 bytes long.
 Data: <&#232;&#187;|&#227;&           > E8 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000226E37E2630, 16 bytes long.
 Data: <&#192;&#187;|&#227;&           > C0 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000226E37E21D0, 16 bytes long.
 Data: < &#187;|&#227;&           > 98 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000226E37E20E0, 16 bytes long.
 Data: <p&#187;|&#227;&           > 70 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000226E37E25E0, 16 bytes long.
 Data: <H&#187;|&#227;&           > 48 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226E37DDA40, 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 0x00000226E37E2400, 16 bytes long.
 Data: < &#187;|&#227;&           > 20 BB 7C E3 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000226E37CBB20, 320 bytes long.
 Data: < $~&#227;&   @&#218;}&#227;&   > 00 24 7E E3 26 02 00 00 40 DA 7D E3 26 02 00 00 
{269} normal block at 0x00000226E37E2450, 16 bytes long.
 Data: <&#208;>~&#227;&           > D0 3E 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226E37E2180, 16 bytes long.
 Data: <&#168;>~&#227;&           > A8 3E 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226E37DD980, 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 0x00000226E37E2770, 16 bytes long.
 Data: <&#128;>~&#227;&           > 80 3E 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000226E37DDAA0, 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 0x00000226E37E2130, 16 bytes long.
 Data: <&#200;=~&#227;&           > C8 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000226E37E2090, 16 bytes long.
 Data: <&#160;=~&#227;&           > A0 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000226E37E18C0, 16 bytes long.
 Data: <x=~&#227;&           > 78 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226E37E1B40, 16 bytes long.
 Data: <P=~&#227;&           > 50 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000226E37E1CD0, 16 bytes long.
 Data: <(=~&#227;&           > 28 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000226E37E2590, 16 bytes long.
 Data: < =~&#227;&           > 00 3D 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000226E37E1BE0, 16 bytes long.
 Data: <@&#190;}&#227;&           > 40 BE 7D E3 26 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000226E37DBE40, 40 bytes long.
 Data: <&#224; ~&#227;&   &#224;+k&#229;&   > E0 1B 7E E3 26 02 00 00 E0 2B 6B E5 26 02 00 00 
{255} normal block at 0x00000226E37E2360, 16 bytes long.
 Data: <&#224;<~&#227;&           > E0 3C 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000226E37E1FA0, 16 bytes long.
 Data: <&#184;<~&#227;&           > B8 3C 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000226E37DD800, 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 0x00000226E37E2040, 16 bytes long.
 Data: <&#144;<~&#227;&           > 90 3C 7E E3 26 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000226E37E3C90, 992 bytes long.
 Data: <@ ~&#227;&    &#216;}&#227;&   > 40 20 7E E3 26 02 00 00 00 D8 7D E3 26 02 00 00 
{87} normal block at 0x00000226E37DD9E0, 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 0x00000226E37D7700, 16 bytes long.
 Data: <&#208;&#189;}&#227;&           > D0 BD 7D E3 26 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000226E37DBDD0, 40 bytes long.
 Data: < w}&#227;&   &#224;&#217;}&#227;&   > 00 77 7D E3 26 02 00 00 E0 D9 7D E3 26 02 00 00 
{64} normal block at 0x00000226E37D7610, 16 bytes long.
 Data: <&#128;&#234;&#239;'&#246;           > 80 EA EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226E37D7200, 16 bytes long.
 Data: <@&#233;&#239;'&#246;           > 40 E9 EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000226E37D6F80, 16 bytes long.
 Data: <&#248;W&#236;'&#246;           > F8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000226E37D79D0, 16 bytes long.
 Data: <&#216;W&#236;'&#246;           > D8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000226E37D7570, 16 bytes long.
 Data: <P &#236;'&#246;           > 50 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000226E37D73E0, 16 bytes long.
 Data: <0 &#236;'&#246;           > 30 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000226E37D7840, 16 bytes long.
 Data: <&#224; &#236;'&#246;           > E0 02 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000226E37D75C0, 16 bytes long.
 Data: <  &#236;'&#246;           > 10 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000226E37D77A0, 16 bytes long.
 Data: <p &#236;'&#246;           > 70 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000226E37D77F0, 16 bytes long.
 Data: < &#192;&#234;'&#246;           > 18 C0 EA 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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