Task 38648815

Name test_463-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND3889_1
Workunit 31592300
Created 23 Oct 2026, 20:52:23 UTC
Sent 24 Oct 2026, 2:50:34 UTC
Report deadline 29 Oct 2026, 2:50:34 UTC
Received 24 Oct 2026, 6:22:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 53 min 42 sec
CPU time 49 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.15 MB
Peak swap size 6.86 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:05 (15508): wrapper (7.9.26016): starting
14:29:05 (15508): 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
14:29:06 (15508): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:06 (15508): 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\13\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\13\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
15:22:02 (15508): C:/Windows/system32/cmd.exe exited; CPU time 2978.484375
15:22:02 (15508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 47657655 bytes.
Dumping objects ->
{3835659} normal block at 0x00000253D0CEFB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x00000253D0CF0070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x00000253CECD5B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x00000253CECD59D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x00000253CECD5960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x00000253D0D387A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x00000253D0D520F0, 102 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) : {3835570} normal block at 0x00000253CECD0BA0, 8 bytes long.
 Data: <  &#199;&#206;S   > 00 00 C7 CE 53 02 00 00 
{3834789} normal block at 0x00000253D0D51CD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x00000253CECD02E0, 8 bytes long.
 Data: <p&#220;&#218;&#206;S   > 70 DC DA CE 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000253CECD1660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000253CECC6B40, 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 0x00000253CECD6C80, 16 bytes long.
 Data: <&#216;s&#205;&#206;S           > D8 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000253CECD6FA0, 16 bytes long.
 Data: <&#176;s&#205;&#206;S           > B0 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000253CECCF680, 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 0x00000253CECD6F00, 16 bytes long.
 Data: < s&#205;&#206;S           > 88 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000253CECD6550, 16 bytes long.
 Data: <`s&#205;&#206;S           > 60 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253CECD6C30, 16 bytes long.
 Data: <8s&#205;&#206;S           > 38 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000253CECD6B90, 16 bytes long.
 Data: < s&#205;&#206;S           > 10 73 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000253CECD5AB0, 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 0x00000253CECD6EB0, 16 bytes long.
 Data: <x &#204;&#206;S           > 78 F0 CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000253CECCFBC0, 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 0x00000253CECD6500, 16 bytes long.
 Data: <P &#204;&#206;S           > 50 F0 CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253CECD62D0, 16 bytes long.
 Data: <( &#204;&#206;S           > 28 F0 CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000253CECD6820, 16 bytes long.
 Data: <  &#204;&#206;S           > 00 F0 CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000253CECD67D0, 16 bytes long.
 Data: <&#216; &#204;&#206;S           > D8 EF CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000253CECD6730, 16 bytes long.
 Data: <&#176; &#204;&#206;S           > B0 EF CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000253CECD63C0, 16 bytes long.
 Data: <  &#204;&#206;S           > 88 EF CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000253CECCFAA0, 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 0x00000253CECD6AF0, 16 bytes long.
 Data: <` &#204;&#206;S           > 60 EF CC CE 53 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000253CECCEF60, 320 bytes long.
 Data: < j&#205;&#206;S     &#204;&#206;S   > F0 6A CD CE 53 02 00 00 A0 FA CC CE 53 02 00 00 
{277} normal block at 0x00000253CECD6370, 16 bytes long.
 Data: < r&#205;&#206;S           > F0 72 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000253CECD6AA0, 16 bytes long.
 Data: <&#200;r&#205;&#206;S           > C8 72 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000253CECCF1A0, 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 0x00000253CECD64B0, 16 bytes long.
 Data: < r&#205;&#206;S           > A0 72 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000253CECCFFE0, 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 0x00000253CECD6460, 16 bytes long.
 Data: < q&#205;&#206;S           > E8 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000253CECD6BE0, 16 bytes long.
 Data: <&#192;q&#205;&#206;S           > C0 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000253CECD6B40, 16 bytes long.
 Data: < q&#205;&#206;S           > 98 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000253CECD6DC0, 16 bytes long.
 Data: <pq&#205;&#206;S           > 70 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253CECD6E60, 16 bytes long.
 Data: <Hq&#205;&#206;S           > 48 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000253CECD6690, 16 bytes long.
 Data: < q&#205;&#206;S           > 20 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000253CECD6780, 16 bytes long.
 Data: < U&#205;&#206;S           > E0 55 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000253CECD55E0, 40 bytes long.
 Data: < g&#205;&#206;S     &#211;&#208;S   > 80 67 CD CE 53 02 00 00 A0 87 D3 D0 53 02 00 00 
{263} normal block at 0x00000253CECD66E0, 16 bytes long.
 Data: < q&#205;&#206;S           > 00 71 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000253CECD6640, 16 bytes long.
 Data: <&#216;p&#205;&#206;S           > D8 70 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000253CECCF860, 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 0x00000253CECD6D70, 16 bytes long.
 Data: <&#176;p&#205;&#206;S           > B0 70 CD CE 53 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000253CECD70B0, 992 bytes long.
 Data: <pm&#205;&#206;S   ` &#204;&#206;S   > 70 6D CD CE 53 02 00 00 60 F8 CC CE 53 02 00 00 
{95} normal block at 0x00000253CECCFA40, 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 0x00000253CECD0DD0, 16 bytes long.
 Data: <` &#203;&#206;S           > 60 E4 CB CE 53 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000253CECBE460, 40 bytes long.
 Data: <&#208; &#205;&#206;S   @ &#204;&#206;S   > D0 0D CD CE 53 02 00 00 40 FA CC CE 53 02 00 00 
{70} normal block at 0x00000253CECD10A0, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000253CECD0D80, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000253CECD1050, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000253CECD0600, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000253CECD0AB0, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000253CECD0150, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000253CECD05B0, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000253CECD07E0, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000253CECD0F10, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000253CECD0380, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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