Task 38695389

Name test_695-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7066_0
Workunit 31636096
Created 31 Oct 2026, 10:00:14 UTC
Sent 31 Oct 2026, 10:00:18 UTC
Report deadline 5 Nov 2026, 10:00:18 UTC
Received 31 Oct 2026, 10:32:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 28 min 52 sec
CPU time 27 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.59 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:04:38 (255784): wrapper (7.9.26016): starting
06:04:38 (255784): 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
06:04:39 (255784): Library/usr/bin/tar.exe exited; CPU time 0.046875
06:04:39 (255784): 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\24\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\24\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
06:32:16 (255784): C:/Windows/system32/cmd.exe exited; CPU time 1668.000000
06:32:16 (255784): 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: 42369269 bytes.
Dumping objects ->
{3835263} normal block at 0x00000162771EF0E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x0000016275446BD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000016275446B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x0000016275446AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000016275446F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x0000016277236850, 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) : {3835175} normal block at 0x00000162754419E0, 8 bytes long.
 Data: <  Aub   > 00 00 41 75 62 01 00 00 
{3833965} normal block at 0x0000016275441990, 8 bytes long.
 Data: <@X)wb   > 40 58 29 77 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000162754438F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016275438020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000016275447FF0, 16 bytes long.
 Data: <&#200; Dub           > C8 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000162754473C0, 16 bytes long.
 Data: <&#160; Dub           > A0 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001627543F5A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000016275447F50, 16 bytes long.
 Data: <x Dub           > 78 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000162754477D0, 16 bytes long.
 Data: <P Dub           > 50 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016275447EB0, 16 bytes long.
 Data: <( Dub           > 28 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016275447690, 16 bytes long.
 Data: <  Dub           > 00 0B 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000162754469A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000162754475A0, 16 bytes long.
 Data: < &#186;Bub           > 98 BA 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001627543F420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000016275447E60, 16 bytes long.
 Data: <p&#186;Bub           > 70 BA 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016275447E10, 16 bytes long.
 Data: <H&#186;Bub           > 48 BA 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016275447370, 16 bytes long.
 Data: < &#186;Bub           > 20 BA 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016275447A50, 16 bytes long.
 Data: <&#248;&#185;Bub           > F8 B9 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016275447B90, 16 bytes long.
 Data: <&#208;&#185;Bub           > D0 B9 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016275447F00, 16 bytes long.
 Data: <&#168;&#185;Bub           > A8 B9 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001627543FC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000016275447B40, 16 bytes long.
 Data: < &#185;Bub           > 80 B9 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001627542B980, 320 bytes long.
 Data: <@{Dub   `&#252;Cub   > 40 7B 44 75 62 01 00 00 60 FC 43 75 62 01 00 00 
{278} normal block at 0x0000016275447D70, 16 bytes long.
 Data: <&#224; Dub           > E0 0A 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016275447CD0, 16 bytes long.
 Data: <&#184; Dub           > B8 0A 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001627543FF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000016275447FA0, 16 bytes long.
 Data: <  Dub           > 90 0A 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001627543FDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000016275447320, 16 bytes long.
 Data: <&#216;	Dub           > D8 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016275447C30, 16 bytes long.
 Data: <&#176;	Dub           > B0 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016275447140, 16 bytes long.
 Data: < 	Dub           > 88 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016275447780, 16 bytes long.
 Data: <`	Dub           > 60 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016275447DC0, 16 bytes long.
 Data: <8	Dub           > 38 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016275447D20, 16 bytes long.
 Data: < 	Dub           > 10 09 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016275447550, 16 bytes long.
 Data: <&#192;oDub           > C0 6F 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016275446FC0, 40 bytes long.
 Data: <PuDub   Ph#wb   > 50 75 44 75 62 01 00 00 50 68 23 77 62 01 00 00 
{264} normal block at 0x0000016275447820, 16 bytes long.
 Data: <&#240; Dub           > F0 08 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016275447C80, 16 bytes long.
 Data: <&#200; Dub           > C8 08 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001627543F0C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000016275447730, 16 bytes long.
 Data: <&#160; Dub           > A0 08 44 75 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000162754408A0, 992 bytes long.
 Data: <0wDub   &#192;&#240;Cub   > 30 77 44 75 62 01 00 00 C0 F0 43 75 62 01 00 00 
{96} normal block at 0x000001627543FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000016275441940, 16 bytes long.
 Data: <&#176;&#223;Bub           > B0 DF 42 75 62 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001627542DFB0, 40 bytes long.
 Data: <@ Dub    &#250;Cub   > 40 19 44 75 62 01 00 00 80 FA 43 75 62 01 00 00 
{73} normal block at 0x0000016275440E00, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000162754418A0, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016275441120, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016275440F40, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016275441A30, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016275440E50, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016275441C60, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016275441AD0, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000162754415D0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016275441850, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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