Task 38661598

Name test_935-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7201_0
Workunit 31605007
Created 24 Oct 2026, 16:00:47 UTC
Sent 24 Oct 2026, 16:34:16 UTC
Report deadline 29 Oct 2026, 16:34:16 UTC
Received 24 Oct 2026, 19:31:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 1 hours 12 min 31 sec
CPU time 1 hours 9 min 13 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 730.91 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:51:54 (11692): wrapper (7.9.26016): starting
02:51:54 (11692): 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
02:51:55 (11692): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:51:55 (11692): 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\11\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\11\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
04:03:43 (11692): C:/Windows/system32/cmd.exe exited; CPU time 4153.328125
04:03:43 (11692): 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: 66156033 bytes.
Dumping objects ->
{3835659} normal block at 0x000001EC11FAC570, 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 0x000001EC11FAC500, 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 0x000001EC0FFA4AA0, 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 0x000001EC0FFA4A30, 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 0x000001EC0FFA4950, 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 0x000001EC11FF6300, 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 0x000001EC1200DD40, 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 0x000001EC0FF9F530, 8 bytes long.
 Data: <  E     > 00 00 45 10 EC 01 00 00 
{3834789} normal block at 0x000001EC1200DF50, 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 0x000001EC0FF9EA40, 8 bytes long.
 Data: <&#176;A      > B0 41 05 12 EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EC0FFA0C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EC0FF96010, 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 0x000001EC0FFA60E0, 16 bytes long.
 Data: < h              > 88 68 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EC0FFA57D0, 16 bytes long.
 Data: <`h              > 60 68 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EC0FF9FBA0, 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 0x000001EC0FFA5D20, 16 bytes long.
 Data: <8h              > 38 68 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EC0FFA64F0, 16 bytes long.
 Data: < h              > 10 68 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EC0FFA5CD0, 16 bytes long.
 Data: < g              > E8 67 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC0FFA6040, 16 bytes long.
 Data: <&#192;g              > C0 67 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EC0FFA4DB0, 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 0x000001EC0FFA5960, 16 bytes long.
 Data: <&#216;&#181;              > D8 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC0FF9FCC0, 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 0x000001EC0FFA5640, 16 bytes long.
 Data: <&#176;&#181;              > B0 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EC0FFA55F0, 16 bytes long.
 Data: < &#181;              > 88 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC0FFA5EB0, 16 bytes long.
 Data: <`&#181;              > 60 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EC0FFA5E10, 16 bytes long.
 Data: <8&#181;              > 38 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EC0FFA63B0, 16 bytes long.
 Data: < &#181;              > 10 B5 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC0FFA5FF0, 16 bytes long.
 Data: < &#180;              > E8 B4 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC0FFA00E0, 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 0x000001EC0FFA5B40, 16 bytes long.
 Data: <&#192;&#180;              > C0 B4 F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC0FF8B4C0, 320 bytes long.
 Data: <@[              > 40 5B FA 0F EC 01 00 00 E0 00 FA 0F EC 01 00 00 
{277} normal block at 0x000001EC0FFA5910, 16 bytes long.
 Data: < g              > A0 67 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC0FFA5780, 16 bytes long.
 Data: <xg              > 78 67 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EC0FF9FC60, 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 0x000001EC0FFA5E60, 16 bytes long.
 Data: <Pg              > 50 67 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EC0FFA0380, 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 0x000001EC0FFA55A0, 16 bytes long.
 Data: < f              > 98 66 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC0FFA64A0, 16 bytes long.
 Data: <pf              > 70 66 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EC0FFA5C30, 16 bytes long.
 Data: <Hf              > 48 66 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC0FFA5D70, 16 bytes long.
 Data: < f              > 20 66 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EC0FFA6220, 16 bytes long.
 Data: < e              > F8 65 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC0FFA5F00, 16 bytes long.
 Data: <&#208;e              > D0 65 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC0FFA6180, 16 bytes long.
 Data: <@M              > 40 4D FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC0FFA4D40, 40 bytes long.
 Data: < a       c      > 80 61 FA 0F EC 01 00 00 00 63 FF 11 EC 01 00 00 
{263} normal block at 0x000001EC0FFA5DC0, 16 bytes long.
 Data: <&#176;e              > B0 65 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EC0FFA5730, 16 bytes long.
 Data: < e              > 88 65 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EC0FFA01A0, 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 0x000001EC0FFA6450, 16 bytes long.
 Data: <`e              > 60 65 FA 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EC0FFA6560, 992 bytes long.
 Data: <Pd              > 50 64 FA 0F EC 01 00 00 A0 01 FA 0F EC 01 00 00 
{95} normal block at 0x000001EC0FFA0020, 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 0x000001EC0FF9F350, 16 bytes long.
 Data: <                > 10 EF F8 0F EC 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EC0FF8EF10, 40 bytes long.
 Data: <P               > 50 F3 F9 0F EC 01 00 00 20 00 FA 0F EC 01 00 00 
{70} normal block at 0x000001EC0FF9F580, 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 0x000001EC0FF9EF90, 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 0x000001EC0FF9F260, 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 0x000001EC0FF9E900, 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 0x000001EC0FF9EC20, 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 0x000001EC0FF9F440, 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 0x000001EC0FF9E9F0, 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 0x000001EC0FF9EBD0, 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 0x000001EC0FF9EB80, 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 0x000001EC0FF9F030, 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>
]]>


©2026 Universitat Pompeu Fabra