Task 38695740

Name test_369-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1528_0
Workunit 31636422
Created 31 Oct 2026, 14:35:38 UTC
Sent 31 Oct 2026, 14:35:43 UTC
Report deadline 5 Nov 2026, 14:35:43 UTC
Received 31 Oct 2026, 16:01:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 16 sec
CPU time 52 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.56 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:04:53 (12192): wrapper (7.9.26016): starting
15:04:53 (12192): 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
15:04:54 (12192): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:54 (12192): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
15:57:31 (12192): C:/Windows/system32/cmd.exe exited; CPU time 3148.765625
15:57:31 (12192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36654441 bytes.
Dumping objects ->
{3835313} normal block at 0x00000116594075C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x0000011659406AD0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000011659407240, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x000001165786B0F0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001165786B630, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x00000116593AB4A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000011657868D30, 200 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) : {3835224} normal block at 0x0000011657866F70, 8 bytes long.
 Data: <   W    > 00 00 80 57 16 01 00 00 
{3834581} normal block at 0x0000011657868290, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000116578667A0, 8 bytes long.
 Data: <&#192;j4Y    > C0 6A 34 59 16 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000116578710E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011657855C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000011657872800, 16 bytes long.
 Data: <&#216;5&#135;W            > D8 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000116578723F0, 16 bytes long.
 Data: <&#176;5&#135;W            > B0 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001165786D0B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000011657872670, 16 bytes long.
 Data: < 5&#135;W            > 88 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011657872580, 16 bytes long.
 Data: <`5&#135;W            > 60 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000116578729E0, 16 bytes long.
 Data: <85&#135;W            > 38 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011657872CB0, 16 bytes long.
 Data: < 5&#135;W            > 10 35 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001165786B390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000116578723A0, 16 bytes long.
 Data: <&#232;[&#133;W            > E8 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001165786D050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000116578727B0, 16 bytes long.
 Data: <&#192;[&#133;W            > C0 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011657872A80, 16 bytes long.
 Data: < [&#133;W            > 98 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011657872300, 16 bytes long.
 Data: <p[&#133;W            > 70 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011657872350, 16 bytes long.
 Data: <H[&#133;W            > 48 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011657872DF0, 16 bytes long.
 Data: < [&#133;W            > 20 5B 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000011657872620, 16 bytes long.
 Data: <&#248;Z&#133;W            > F8 5A 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001165786D170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000116578722B0, 16 bytes long.
 Data: <&#208;Z&#133;W            > D0 5A 85 57 16 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011657855AD0, 320 bytes long.
 Data: <&#176;"&#135;W    p&#209;&#134;W    > B0 22 87 57 16 01 00 00 70 D1 86 57 16 01 00 00 
{269} normal block at 0x0000011657872A30, 16 bytes long.
 Data: <&#240;4&#135;W            > F0 34 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011657872530, 16 bytes long.
 Data: <&#200;4&#135;W            > C8 34 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001165786CF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000116578724E0, 16 bytes long.
 Data: <&#160;4&#135;W            > A0 34 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001165786D110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000011657872080, 16 bytes long.
 Data: <&#232;3&#135;W            > E8 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000116578728A0, 16 bytes long.
 Data: <&#192;3&#135;W            > C0 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011657872030, 16 bytes long.
 Data: < 3&#135;W            > 98 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011657872120, 16 bytes long.
 Data: <p3&#135;W            > 70 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011657872260, 16 bytes long.
 Data: <H3&#135;W            > 48 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000011657872760, 16 bytes long.
 Data: < 3&#135;W            > 20 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000011657872710, 16 bytes long.
 Data: <`&#177;&#134;W            > 60 B1 86 57 16 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001165786B160, 40 bytes long.
 Data: < '&#135;W    &#160;&#180;:Y    > 10 27 87 57 16 01 00 00 A0 B4 3A 59 16 01 00 00 
{255} normal block at 0x0000011657871F40, 16 bytes long.
 Data: < 3&#135;W            > 00 33 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000011657872E40, 16 bytes long.
 Data: <&#216;2&#135;W            > D8 32 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001165786D290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000011657872210, 16 bytes long.
 Data: <&#176;2&#135;W            > B0 32 87 57 16 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000116578732B0, 992 bytes long.
 Data: < "&#135;W     &#210;&#134;W    > 10 22 87 57 16 01 00 00 90 D2 86 57 16 01 00 00 
{87} normal block at 0x000001165786CB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000011657866A70, 16 bytes long.
 Data: <&#224;&#180;&#134;W            > E0 B4 86 57 16 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001165786B4E0, 40 bytes long.
 Data: <pj&#134;W     &#203;&#134;W    > 70 6A 86 57 16 01 00 00 10 CB 86 57 16 01 00 00 
{64} normal block at 0x0000011657866520, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000011657866BB0, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000011657866AC0, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000011657867010, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000011657866B10, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000011657866890, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000011657866ED0, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000011657866B60, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000011657866F20, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000011657866DE0, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra