Task 38660983

Name test_201-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND3663_0
Workunit 31604438
Created 24 Oct 2026, 15:02:07 UTC
Sent 24 Oct 2026, 15:09:59 UTC
Report deadline 29 Oct 2026, 15:09:59 UTC
Received 24 Oct 2026, 16:03:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 48 min 14 sec
CPU time 43 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.02 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:17:04 (23244): wrapper (7.9.26016): starting
17:17:04 (23244): 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
17:17:05 (23244): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:17:05 (23244): 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\4\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\4\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
18:02:57 (23244): C:/Windows/system32/cmd.exe exited; CPU time 2590.859375
18:02:57 (23244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 63508748 bytes.
Dumping objects ->
{3835369} normal block at 0x0000020B30FA07D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x0000020B30FA16B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x0000020B30FA1560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835336} normal block at 0x0000020B30FA1480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x0000020B30FA1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835294} normal block at 0x0000020B3104F700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000020B310ECB00, 85 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) : {3835280} normal block at 0x0000020B2F48AC00, 8 bytes long.
 Data: <  F/    > 00 00 46 2F 0B 02 00 00 
{3834623} normal block at 0x0000020B310ED000, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x0000020B2F48A570, 8 bytes long.
 Data: <&#240;&#194; 1    > F0 C2 0E 31 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000020B2F496040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000020B2F47D590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000020B2F4970D0, 16 bytes long.
 Data: <&#184;&#131;I/            > B8 83 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000020B2F497E90, 16 bytes long.
 Data: < &#131;I/            > 90 83 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000020B2F493B80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000020B2F4975D0, 16 bytes long.
 Data: <h&#131;I/            > 68 83 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020B2F498020, 16 bytes long.
 Data: <@&#131;I/            > 40 83 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020B2F497210, 16 bytes long.
 Data: < &#131;I/            > 18 83 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020B2F497EE0, 16 bytes long.
 Data: <&#240;&#130;I/            > F0 82 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020B2F494DE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000020B2F497DF0, 16 bytes long.
 Data: < 4I/            > 98 34 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020B2F4938E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000020B2F497DA0, 16 bytes long.
 Data: <p4I/            > 70 34 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020B2F497350, 16 bytes long.
 Data: <H4I/            > 48 34 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020B2F497580, 16 bytes long.
 Data: < 4I/            > 20 34 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B2F497CB0, 16 bytes long.
 Data: <&#248;3I/            > F8 33 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020B2F497BC0, 16 bytes long.
 Data: <&#208;3I/            > D0 33 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B2F497A30, 16 bytes long.
 Data: <&#168;3I/            > A8 33 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B2F494240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000020B2F4979E0, 16 bytes long.
 Data: < 3I/            > 80 33 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B2F493380, 320 bytes long.
 Data: <&#224;yI/    @BI/    > E0 79 49 2F 0B 02 00 00 40 42 49 2F 0B 02 00 00 
{290} normal block at 0x0000020B2F497940, 16 bytes long.
 Data: <&#208;&#130;I/            > D0 82 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B2F4978A0, 16 bytes long.
 Data: <&#168;&#130;I/            > A8 82 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B2F493F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000020B2F497E40, 16 bytes long.
 Data: < &#130;I/            > 80 82 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B2F493D60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000020B2F497990, 16 bytes long.
 Data: <&#200; I/            > C8 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B2F497C10, 16 bytes long.
 Data: <&#160; I/            > A0 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B2F497C60, 16 bytes long.
 Data: <x I/            > 78 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B2F497800, 16 bytes long.
 Data: <P I/            > 50 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B2F4977B0, 16 bytes long.
 Data: <( I/            > 28 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B2F497760, 16 bytes long.
 Data: <  I/            > 00 81 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B2F497530, 16 bytes long.
 Data: <0HI/            > 30 48 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B2F494830, 40 bytes long.
 Data: <0uI/     &#247; 1    > 30 75 49 2F 0B 02 00 00 00 F7 04 31 0B 02 00 00 
{276} normal block at 0x0000020B2F497FD0, 16 bytes long.
 Data: <&#224; I/            > E0 80 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B2F497D50, 16 bytes long.
 Data: <&#184; I/            > B8 80 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B2F493B20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000020B2F497710, 16 bytes long.
 Data: <  I/            > 90 80 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B2F498090, 992 bytes long.
 Data: < wI/     ;I/    > 10 77 49 2F 0B 02 00 00 20 3B 49 2F 0B 02 00 00 
{108} normal block at 0x0000020B2F493A60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000020B2F48A8E0, 16 bytes long.
 Data: <0OI/            > 30 4F 49 2F 0B 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000020B2F494F30, 40 bytes long.
 Data: <&#224;&#168;H/    `:I/    > E0 A8 48 2F 0B 02 00 00 60 3A 49 2F 0B 02 00 00 
{85} normal block at 0x0000020B2F48A200, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020B2F48A9D0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000020B2F48A480, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020B2F48A250, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020B2F48A1B0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000020B2F48B060, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020B2F48A2A0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020B2F48A430, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020B2F48A660, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020B2F48AB10, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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