Task 38670037

Name test_538-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0126_0
Workunit 31612322
Created 25 Oct 2026, 16:17:56 UTC
Sent 25 Oct 2026, 16:17:59 UTC
Report deadline 30 Oct 2026, 16:17:59 UTC
Received 25 Oct 2026, 17:45:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 33 min 8 sec
CPU time 30 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 806.95 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:12:53 (34452): wrapper (7.9.26016): starting
19:12:53 (34452): 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
19:12:54 (34452): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:12:54 (34452): 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\0\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\0\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
19:45:02 (34452): C:/Windows/system32/cmd.exe exited; CPU time 1858.031250
19:45:02 (34452): 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: 54744175 bytes.
Dumping objects ->
{3835491} normal block at 0x0000027FCC78DD90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000027FCC78DCB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000027FCC78DA10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000027FCAB65160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000027FCAB650F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000027FCC7DB2B0, 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) : {3835403} normal block at 0x0000027FCAB5E050, 8 bytes long.
 Data: <  &#177;&#202;    > 00 00 B1 CA 7F 02 00 00 
{3833963} normal block at 0x0000027FCAB5E2D0, 8 bytes long.
 Data: <&#208;F&#182;&#202;    > D0 46 B6 CA 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027FCAB61400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027FCAB56880, 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 0x0000027FCAB660E0, 16 bytes long.
 Data: <&#248;k&#182;&#202;            > F8 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027FCAB65B40, 16 bytes long.
 Data: <&#208;k&#182;&#202;            > D0 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027FCAB5F2D0, 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 0x0000027FCAB65FA0, 16 bytes long.
 Data: <&#168;k&#182;&#202;            > A8 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027FCAB664F0, 16 bytes long.
 Data: < k&#182;&#202;            > 80 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027FCAB65AA0, 16 bytes long.
 Data: <Xk&#182;&#202;            > 58 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027FCAB666D0, 16 bytes long.
 Data: <0k&#182;&#202;            > 30 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027FCAB64D70, 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 0x0000027FCAB65AF0, 16 bytes long.
 Data: <&#232;&#239;&#180;&#202;            > E8 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027FCAB5FE10, 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 0x0000027FCAB66090, 16 bytes long.
 Data: <&#192;&#239;&#180;&#202;            > C0 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027FCAB65A50, 16 bytes long.
 Data: < &#239;&#180;&#202;            > 98 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027FCAB66270, 16 bytes long.
 Data: <p&#239;&#180;&#202;            > 70 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027FCAB65FF0, 16 bytes long.
 Data: <H&#239;&#180;&#202;            > 48 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027FCAB66450, 16 bytes long.
 Data: < &#239;&#180;&#202;            > 20 EF B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027FCAB65A00, 16 bytes long.
 Data: <&#248;&#238;&#180;&#202;            > F8 EE B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027FCAB5FA50, 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 0x0000027FCAB664A0, 16 bytes long.
 Data: <&#208;&#238;&#180;&#202;            > D0 EE B4 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027FCAB4EED0, 320 bytes long.
 Data: <&#160;d&#182;&#202;    P&#250;&#181;&#202;    > A0 64 B6 CA 7F 02 00 00 50 FA B5 CA 7F 02 00 00 
{277} normal block at 0x0000027FCAB66680, 16 bytes long.
 Data: < k&#182;&#202;            > 10 6B B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027FCAB66220, 16 bytes long.
 Data: <&#232;j&#182;&#202;            > E8 6A B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027FCAB5FC90, 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 0x0000027FCAB65B90, 16 bytes long.
 Data: <&#192;j&#182;&#202;            > C0 6A B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027FCAB5F870, 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 0x0000027FCAB65910, 16 bytes long.
 Data: < j&#182;&#202;            > 08 6A B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027FCAB66630, 16 bytes long.
 Data: <&#224;i&#182;&#202;            > E0 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027FCAB65960, 16 bytes long.
 Data: <&#184;i&#182;&#202;            > B8 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027FCAB65F50, 16 bytes long.
 Data: < i&#182;&#202;            > 90 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027FCAB65E10, 16 bytes long.
 Data: <hi&#182;&#202;            > 68 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027FCAB66130, 16 bytes long.
 Data: <@i&#182;&#202;            > 40 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027FCAB66860, 16 bytes long.
 Data: < M&#182;&#202;            > 00 4D B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027FCAB64D00, 40 bytes long.
 Data: <`h&#182;&#202;    &#176;&#178;}&#204;    > 60 68 B6 CA 7F 02 00 00 B0 B2 7D CC 7F 02 00 00 
{263} normal block at 0x0000027FCAB66040, 16 bytes long.
 Data: < i&#182;&#202;            > 20 69 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027FCAB66810, 16 bytes long.
 Data: <&#248;h&#182;&#202;            > F8 68 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027FCAB5FD50, 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 0x0000027FCAB66540, 16 bytes long.
 Data: <&#208;h&#182;&#202;            > D0 68 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027FCAB668D0, 992 bytes long.
 Data: <@e&#182;&#202;    P&#253;&#181;&#202;    > 40 65 B6 CA 7F 02 00 00 50 FD B5 CA 7F 02 00 00 
{95} normal block at 0x0000027FCAB5F9F0, 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 0x0000027FCAB5DE20, 16 bytes long.
 Data: <&#208;Q&#182;&#202;            > D0 51 B6 CA 7F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027FCAB651D0, 40 bytes long.
 Data: < &#222;&#181;&#202;    &#240;&#249;&#181;&#202;    > 20 DE B5 CA 7F 02 00 00 F0 F9 B5 CA 7F 02 00 00 
{72} normal block at 0x0000027FCAB5E190, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027FCAB5E000, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027FCAB5DA60, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027FCAB5DF10, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027FCAB5D650, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027FCAB5D970, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027FCAB5DB50, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027FCAB5D790, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027FCAB5DF60, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027FCAB5E0F0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra