Task 38684603

Name test_413-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0336_0
Workunit 31626111
Created 27 Oct 2026, 17:07:49 UTC
Sent 27 Oct 2026, 17:07:52 UTC
Report deadline 1 Nov 2026, 17:07:52 UTC
Received 27 Oct 2026, 18:06:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 37 min 17 sec
CPU time 36 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.26 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:29:06 (844): wrapper (7.9.26016): starting
18:29:06 (844): 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
18:29:07 (844): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:29:07 (844): 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\3\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\3\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
19:05:31 (844): C:/Windows/system32/cmd.exe exited; CPU time 2175.671875
19:05:31 (844): 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: 46568237 bytes.
Dumping objects ->
{3835244} normal block at 0x000002148D6C6660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002148D6C6A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002148D6C6CF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000002148D6C6B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000002148D6C7380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000002148D6C7CA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000002148F27DE20, 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) : {3835155} normal block at 0x000002148D697B50, 8 bytes long.
 Data: <  f     > 00 00 66 8D 14 02 00 00 
{3834549} normal block at 0x000002148F27DC10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002148D697880, 8 bytes long.
 Data: <&#176;j+     > B0 6A 2B 8F 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002148D6A1D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002148D6860C0, 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 0x000002148D6A2D50, 16 bytes long.
 Data: <HCj             > 48 43 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002148D6A32F0, 16 bytes long.
 Data: < Cj             > 20 43 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002148D69BEC0, 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 0x000002148D6A3200, 16 bytes long.
 Data: <&#248;Bj             > F8 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002148D6A2FD0, 16 bytes long.
 Data: <&#208;Bj             > D0 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002148D6A3610, 16 bytes long.
 Data: <&#168;Bj             > A8 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002148D6A2D00, 16 bytes long.
 Data: < Bj             > 80 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002148D69DC00, 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 0x000002148D6A3340, 16 bytes long.
 Data: <&#184;&#216;i             > B8 D8 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002148D69BC20, 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 0x000002148D6A3B10, 16 bytes long.
 Data: < &#216;i             > 90 D8 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002148D6A2F30, 16 bytes long.
 Data: <h&#216;i             > 68 D8 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002148D6A36B0, 16 bytes long.
 Data: <@&#216;i             > 40 D8 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002148D6A39D0, 16 bytes long.
 Data: < &#216;i             > 18 D8 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002148D6A3980, 16 bytes long.
 Data: <&#240;&#215;i             > F0 D7 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002148D6A3AC0, 16 bytes long.
 Data: <&#200;&#215;i             > C8 D7 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002148D69C880, 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 0x000002148D6A3390, 16 bytes long.
 Data: <&#160;&#215;i             > A0 D7 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002148D69D7A0, 320 bytes long.
 Data: < 3j      &#200;i     > 90 33 6A 8D 14 02 00 00 80 C8 69 8D 14 02 00 00 
{278} normal block at 0x000002148D6A3930, 16 bytes long.
 Data: <`Bj             > 60 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002148D6A37F0, 16 bytes long.
 Data: <8Bj             > 38 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002148D69BCE0, 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 0x000002148D6A3520, 16 bytes long.
 Data: < Bj             > 10 42 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002148D69C340, 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 0x000002148D6A35C0, 16 bytes long.
 Data: <XAj             > 58 41 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002148D6A2EE0, 16 bytes long.
 Data: <0Aj             > 30 41 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002148D6A2E90, 16 bytes long.
 Data: < Aj             > 08 41 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002148D6A2CB0, 16 bytes long.
 Data: <&#224;@j             > E0 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002148D6A3160, 16 bytes long.
 Data: <&#184;@j             > B8 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002148D6A2E40, 16 bytes long.
 Data: < @j             > 90 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002148D6A34D0, 16 bytes long.
 Data: <`&#224;i             > 60 E0 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002148D69E060, 40 bytes long.
 Data: <&#208;4j     &#160;|l     > D0 34 6A 8D 14 02 00 00 A0 7C 6C 8D 14 02 00 00 
{264} normal block at 0x000002148D6A3840, 16 bytes long.
 Data: <p@j             > 70 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002148D6A3890, 16 bytes long.
 Data: <H@j             > 48 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002148D69BF80, 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 0x000002148D6A3110, 16 bytes long.
 Data: < @j             > 20 40 6A 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002148D6A4020, 992 bytes long.
 Data: < 1j      &#191;i     > 10 31 6A 8D 14 02 00 00 80 BF 69 8D 14 02 00 00 
{96} normal block at 0x000002148D69C460, 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 0x000002148D697150, 16 bytes long.
 Data: < &#219;i             > 20 DB 69 8D 14 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002148D69DB20, 40 bytes long.
 Data: <Pqi     `&#196;i     > 50 71 69 8D 14 02 00 00 60 C4 69 8D 14 02 00 00 
{73} normal block at 0x000002148D6975B0, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002148D697650, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002148D697A60, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002148D6970B0, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002148D697740, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002148D696ED0, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002148D696FC0, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002148D697420, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002148D696DE0, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002148D697920, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra