Task 38685459

Name test_664-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4414_0
Workunit 31626925
Created 27 Oct 2026, 21:09:49 UTC
Sent 27 Oct 2026, 21:09:56 UTC
Report deadline 1 Nov 2026, 21:09:56 UTC
Received 28 Oct 2026, 5:57:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647027
Run time 2 hours 53 min 17 sec
CPU time 2 hours 50 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,809.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.40 MB
Peak swap size 12.67 GB
Peak disk usage 3.61 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:04:40 (1524): wrapper (7.9.26016): starting
04:04:40 (1524): 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
04:04:42 (1524): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:04:42 (1524): 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\39\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\39\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
06:56:29 (1524): C:/Windows/system32/cmd.exe exited; CPU time 10252.906250
06:56:29 (1524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 134071147 bytes.
Dumping objects ->
{3835251} normal block at 0x000002836D2808B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002836D280C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002836D281480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000002836D280990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002836D2815D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002836D3729E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000002836B6CD230, 145 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) : {3835162} normal block at 0x000002836B677480, 8 bytes long.
 Data: <   m&#131;   > 00 00 0A 6D 83 02 00 00 
{3834552} normal block at 0x000002836B6CC1F0, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002836B6778E0, 8 bytes long.
 Data: < &#235;uk&#131;   > 20 EB 75 6B 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002836B6821F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002836B66B930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002836B683AA0, 16 bytes long.
 Data: <(Dhk&#131;           > 28 44 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002836B683FA0, 16 bytes long.
 Data: < Dhk&#131;           > 00 44 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002836B67DBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002836B683820, 16 bytes long.
 Data: <&#216;Chk&#131;           > D8 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002836B6836E0, 16 bytes long.
 Data: <&#176;Chk&#131;           > B0 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002836B683690, 16 bytes long.
 Data: < Chk&#131;           > 88 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002836B683B90, 16 bytes long.
 Data: <`Chk&#131;           > 60 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002836B67C050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002836B683640, 16 bytes long.
 Data: <&#216;[fk&#131;           > D8 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002836B67D7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002836B683500, 16 bytes long.
 Data: <&#176;[fk&#131;           > B0 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002836B683A00, 16 bytes long.
 Data: < [fk&#131;           > 88 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002836B683EB0, 16 bytes long.
 Data: <`[fk&#131;           > 60 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002836B683460, 16 bytes long.
 Data: <8[fk&#131;           > 38 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002836B683BE0, 16 bytes long.
 Data: < [fk&#131;           > 10 5B 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002836B683320, 16 bytes long.
 Data: <&#232;Zfk&#131;           > E8 5A 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002836B67D310, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000002836B683AF0, 16 bytes long.
 Data: <&#192;Zfk&#131;           > C0 5A 66 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002836B665AC0, 320 bytes long.
 Data: <&#240;:hk&#131;    &#211;gk&#131;   > F0 3A 68 6B 83 02 00 00 10 D3 67 6B 83 02 00 00 
{270} normal block at 0x000002836B6835F0, 16 bytes long.
 Data: <@Chk&#131;           > 40 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002836B6835A0, 16 bytes long.
 Data: < Chk&#131;           > 18 43 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002836B67DB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002836B683280, 16 bytes long.
 Data: <&#240;Bhk&#131;           > F0 42 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002836B67D850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002836B683F50, 16 bytes long.
 Data: <8Bhk&#131;           > 38 42 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002836B683780, 16 bytes long.
 Data: < Bhk&#131;           > 10 42 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002836B683730, 16 bytes long.
 Data: <&#232;Ahk&#131;           > E8 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002836B683190, 16 bytes long.
 Data: <&#192;Ahk&#131;           > C0 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002836B683DC0, 16 bytes long.
 Data: < Ahk&#131;           > 98 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002836B683410, 16 bytes long.
 Data: <pAhk&#131;           > 70 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002836B683140, 16 bytes long.
 Data: <&#208;&#195;gk&#131;           > D0 C3 67 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002836B67C3D0, 40 bytes long.
 Data: <@1hk&#131;   &#224;)7m&#131;   > 40 31 68 6B 83 02 00 00 E0 29 37 6D 83 02 00 00 
{256} normal block at 0x000002836B6833C0, 16 bytes long.
 Data: <PAhk&#131;           > 50 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002836B683230, 16 bytes long.
 Data: <(Ahk&#131;           > 28 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002836B67DAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002836B683550, 16 bytes long.
 Data: < Ahk&#131;           > 00 41 68 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002836B684100, 992 bytes long.
 Data: <P5hk&#131;   &#240;&#218;gk&#131;   > 50 35 68 6B 83 02 00 00 F0 DA 67 6B 83 02 00 00 
{88} normal block at 0x000002836B67D790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002836B6777F0, 16 bytes long.
 Data: <&#224;&#191;gk&#131;           > E0 BF 67 6B 83 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002836B67BFE0, 40 bytes long.
 Data: <&#240;wgk&#131;    &#215;gk&#131;   > F0 77 67 6B 83 02 00 00 90 D7 67 6B 83 02 00 00 
{65} normal block at 0x000002836B677F70, 16 bytes long.
 Data: < &#234;&#244;&#181;&#246;           > 80 EA F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002836B677570, 16 bytes long.
 Data: <@&#233;&#244;&#181;&#246;           > 40 E9 F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002836B6774D0, 16 bytes long.
 Data: <&#248;W&#241;&#181;&#246;           > F8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002836B678100, 16 bytes long.
 Data: <&#216;W&#241;&#181;&#246;           > D8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002836B6777A0, 16 bytes long.
 Data: <P &#241;&#181;&#246;           > 50 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002836B677C50, 16 bytes long.
 Data: <0 &#241;&#181;&#246;           > 30 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002836B6772A0, 16 bytes long.
 Data: <&#224; &#241;&#181;&#246;           > E0 02 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002836B677B60, 16 bytes long.
 Data: <  &#241;&#181;&#246;           > 10 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002836B678060, 16 bytes long.
 Data: <p &#241;&#181;&#246;           > 70 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002836B677700, 16 bytes long.
 Data: < &#192;&#239;&#181;&#246;           > 18 C0 EF B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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