Task 38674797

Name test_414-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND0826_1
Workunit 31616783
Created 26 Oct 2026, 6:21:10 UTC
Sent 26 Oct 2026, 6:21:16 UTC
Report deadline 31 Oct 2026, 6:21:16 UTC
Received 26 Oct 2026, 11:46:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 46 min 57 sec
CPU time 1 hours 43 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.19 MB
Peak swap size 6.72 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:01:05 (10188): wrapper (7.9.26016): starting
06:01:06 (10188): 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
06:01:09 (10188): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:01:09 (10188): 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
07:45:29 (10188): C:/Windows/system32/cmd.exe exited; CPU time 6222.406250
07:45:29 (10188): 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: 77361147 bytes.
Dumping objects ->
{3835209} normal block at 0x0000017157506E20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000017157507520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000017157506DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x0000017157507670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000171575077C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x0000017159095C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x00000171590AD250, 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) : {3835120} normal block at 0x00000171574D6270, 8 bytes long.
 Data: <  KWq   > 00 00 4B 57 71 01 00 00 
{3834523} normal block at 0x00000171590AD510, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000171574D6B30, 8 bytes long.
 Data: <&#208;&#223;&#250;Xq   > D0 DF FA 58 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000171574E28C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000171574CA8E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000171574E3900, 16 bytes long.
 Data: <&#184;INWq           > B8 49 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171574E4620, 16 bytes long.
 Data: < INWq           > 90 49 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000171574DCC80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000171574E3DB0, 16 bytes long.
 Data: <hINWq           > 68 49 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000171574E4530, 16 bytes long.
 Data: <@INWq           > 40 49 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000171574E3A40, 16 bytes long.
 Data: < INWq           > 18 49 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000171574E42B0, 16 bytes long.
 Data: <&#240;HNWq           > F0 48 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000171574DB1C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000171574E3770, 16 bytes long.
 Data: <&#184;&#190;MWq           > B8 BE 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000171574DCDA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000171574E38B0, 16 bytes long.
 Data: < &#190;MWq           > 90 BE 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000171574E45D0, 16 bytes long.
 Data: <h&#190;MWq           > 68 BE 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000171574E3720, 16 bytes long.
 Data: <@&#190;MWq           > 40 BE 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000171574E4210, 16 bytes long.
 Data: < &#190;MWq           > 18 BE 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000171574E3BD0, 16 bytes long.
 Data: <&#240;&#189;MWq           > F0 BD 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000171574E3EF0, 16 bytes long.
 Data: <&#200;&#189;MWq           > C8 BD 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000171574DC440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000171574E3B80, 16 bytes long.
 Data: <&#160;&#189;MWq           > A0 BD 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000171574DBDA0, 320 bytes long.
 Data: < ;NWq   @&#196;MWq   > 80 3B 4E 57 71 01 00 00 40 C4 4D 57 71 01 00 00 
{268} normal block at 0x00000171574E3950, 16 bytes long.
 Data: <&#208;HNWq           > D0 48 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171574E3EA0, 16 bytes long.
 Data: <&#168;HNWq           > A8 48 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000171574DC0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000171574E4260, 16 bytes long.
 Data: < HNWq           > 80 48 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000171574DCEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000171574E3B30, 16 bytes long.
 Data: <&#200;GNWq           > C8 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000171574E3AE0, 16 bytes long.
 Data: <&#160;GNWq           > A0 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000171574E3860, 16 bytes long.
 Data: <xGNWq           > 78 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171574E4490, 16 bytes long.
 Data: <PGNWq           > 50 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000171574E4440, 16 bytes long.
 Data: <(GNWq           > 28 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000171574E39A0, 16 bytes long.
 Data: < GNWq           > 00 47 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000171574E3F90, 16 bytes long.
 Data: <&#208;&#173;MWq           > D0 AD 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000171574DADD0, 40 bytes long.
 Data: < ?NWq    \	Yq   > 90 3F 4E 57 71 01 00 00 80 5C 09 59 71 01 00 00 
{254} normal block at 0x00000171574E41C0, 16 bytes long.
 Data: <&#224;FNWq           > E0 46 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000171574E43F0, 16 bytes long.
 Data: <&#184;FNWq           > B8 46 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000171574DC9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000171574E44E0, 16 bytes long.
 Data: < FNWq           > 90 46 4E 57 71 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000171574E4690, 992 bytes long.
 Data: <&#224;DNWq   &#224;&#201;MWq   > E0 44 4E 57 71 01 00 00 E0 C9 4D 57 71 01 00 00 
{86} normal block at 0x00000171574DCE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000171574D6BD0, 16 bytes long.
 Data: <P&#177;MWq           > 50 B1 4D 57 71 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000171574DB150, 40 bytes long.
 Data: <&#208;kMWq   `&#206;MWq   > D0 6B 4D 57 71 01 00 00 60 CE 4D 57 71 01 00 00 
{63} normal block at 0x00000171574D69F0, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000171574D5FF0, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000171574D6450, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000171574D6E00, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000171574D6130, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000171574D6220, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000171574D68B0, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000171574D67C0, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000171574D6360, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000171574D6810, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra