Task 38682139

Name test_395-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6872_0
Workunit 31623769
Created 27 Oct 2026, 6:42:10 UTC
Sent 27 Oct 2026, 6:42:15 UTC
Report deadline 1 Nov 2026, 6:42:15 UTC
Received 28 Oct 2026, 6:09:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 59 min 32 sec
CPU time 55 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.11 MB
Peak swap size 6.83 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
06:10:46 (8052): wrapper (7.9.26016): starting
06:10:46 (8052): 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
06:10:47 (8052): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:10:47 (8052): 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\7\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\7\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
07:08:44 (8052): C:/Windows/system32/cmd.exe exited; CPU time 3347.562500
07:08:44 (8052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 57966321 bytes.
Dumping objects ->
{3835239} normal block at 0x00000294199245C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000294199241D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x00000294199240F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000029419924390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000029419924010, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000002941B769500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000002941997D9E0, 144 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) : {3835150} normal block at 0x000002941991E450, 8 bytes long.
 Data: <  &#228; &#148;   > 00 00 E4 19 94 02 00 00 
{3834550} normal block at 0x000002941997D290, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002941991E220, 8 bytes long.
 Data: < &#151;&#148; &#148;   > 20 97 94 19 94 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000029419920380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029419915A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000029419925630, 16 bytes long.
 Data: <H\&#146; &#148;           > 48 5C 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029419924B40, 16 bytes long.
 Data: < \&#146; &#148;           > 20 5C 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002941991F8B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000294199257C0, 16 bytes long.
 Data: <&#248;[&#146; &#148;           > F8 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029419925770, 16 bytes long.
 Data: <&#208;[&#146; &#148;           > D0 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029419925720, 16 bytes long.
 Data: <&#168;[&#146; &#148;           > A8 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000294199252C0, 16 bytes long.
 Data: < [&#146; &#148;           > 80 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029419924630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000294199256D0, 16 bytes long.
 Data: <8&#134;&#145; &#148;           > 38 86 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002941991F010, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000294199253B0, 16 bytes long.
 Data: < &#134;&#145; &#148;           > 10 86 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029419925220, 16 bytes long.
 Data: <&#232;&#133;&#145; &#148;           > E8 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029419924DC0, 16 bytes long.
 Data: <&#192;&#133;&#145; &#148;           > C0 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029419924E10, 16 bytes long.
 Data: < &#133;&#145; &#148;           > 98 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029419924FA0, 16 bytes long.
 Data: <p&#133;&#145; &#148;           > 70 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000294199258B0, 16 bytes long.
 Data: <H&#133;&#145; &#148;           > 48 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002941991EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000294199251D0, 16 bytes long.
 Data: < &#133;&#145; &#148;           > 20 85 91 19 94 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029419918520, 320 bytes long.
 Data: <&#208;Q&#146; &#148;   &#176;&#239;&#145; &#148;   > D0 51 92 19 94 02 00 00 B0 EF 91 19 94 02 00 00 
{273} normal block at 0x0000029419924AF0, 16 bytes long.
 Data: <`[&#146; &#148;           > 60 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029419924A50, 16 bytes long.
 Data: <8[&#146; &#148;           > 38 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002941991F610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000029419924A00, 16 bytes long.
 Data: < [&#146; &#148;           > 10 5B 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002941991F6D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000029419924D20, 16 bytes long.
 Data: <XZ&#146; &#148;           > 58 5A 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029419925680, 16 bytes long.
 Data: <0Z&#146; &#148;           > 30 5A 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029419924F00, 16 bytes long.
 Data: < Z&#146; &#148;           > 08 5A 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029419924B90, 16 bytes long.
 Data: <&#224;Y&#146; &#148;           > E0 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029419924CD0, 16 bytes long.
 Data: <&#184;Y&#146; &#148;           > B8 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029419924C30, 16 bytes long.
 Data: < Y&#146; &#148;           > 90 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029419924D70, 16 bytes long.
 Data: <pD&#146; &#148;           > 70 44 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029419924470, 40 bytes long.
 Data: <pM&#146; &#148;    &#149;v &#148;   > 70 4D 92 19 94 02 00 00 00 95 76 1B 94 02 00 00 
{259} normal block at 0x0000029419925180, 16 bytes long.
 Data: <pY&#146; &#148;           > 70 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000294199249B0, 16 bytes long.
 Data: <HY&#146; &#148;           > 48 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002941991EF50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000029419924AA0, 16 bytes long.
 Data: < Y&#146; &#148;           > 20 59 92 19 94 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000029419925920, 992 bytes long.
 Data: <&#160;J&#146; &#148;   P&#239;&#145; &#148;   > A0 4A 92 19 94 02 00 00 50 EF 91 19 94 02 00 00 
{91} normal block at 0x000002941991F7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002941991EA40, 16 bytes long.
 Data: < &#238;  &#148;           > 90 EE 90 19 94 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002941990EE90, 40 bytes long.
 Data: <@&#234;&#145; &#148;   &#240;&#247;&#145; &#148;   > 40 EA 91 19 94 02 00 00 F0 F7 91 19 94 02 00 00 
{68} normal block at 0x000002941991E1D0, 16 bytes long.
 Data: < &#234;u &#246;           > 80 EA 75 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002941991DEB0, 16 bytes long.
 Data: <@&#233;u &#246;           > 40 E9 75 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002941991DE60, 16 bytes long.
 Data: <&#248;Wr &#246;           > F8 57 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002941991E180, 16 bytes long.
 Data: <&#216;Wr &#246;           > D8 57 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002941991E310, 16 bytes long.
 Data: <P r &#246;           > 50 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002941991DC80, 16 bytes long.
 Data: <0 r &#246;           > 30 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002941991DDC0, 16 bytes long.
 Data: <&#224; r &#246;           > E0 02 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002941991E400, 16 bytes long.
 Data: <  r &#246;           > 10 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002941991E770, 16 bytes long.
 Data: <p r &#246;           > 70 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002941991DE10, 16 bytes long.
 Data: < &#192;p &#246;           > 18 C0 70 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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