Task 38667262

Name test_50-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9193_0
Workunit 31609918
Created 25 Oct 2026, 7:06:09 UTC
Sent 25 Oct 2026, 7:07:12 UTC
Report deadline 30 Oct 2026, 7:07:12 UTC
Received 25 Oct 2026, 8:22:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 35 min 44 sec
CPU time 34 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.75 MB
Peak swap size 9.85 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:47:06 (4556): wrapper (7.9.26016): starting
03:47:06 (4556): 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
03:47:07 (4556): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:47:07 (4556): 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
04:22:01 (4556): C:/Windows/system32/cmd.exe exited; CPU time 2061.140625
04:22:01 (4556): 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: 32016221 bytes.
Dumping objects ->
{3835479} normal block at 0x000001CD33E66AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001CD33E66A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001CD33E667A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000001CD33E66730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001CD33E66810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000001CD35C89CF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001CD35C9F5B0, 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) : {3835390} normal block at 0x000001CD33E60CD0, 8 bytes long.
 Data: <  ?4&#205;   > 00 00 3F 34 CD 01 00 00 
{3834663} normal block at 0x000001CD35C9F9D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001CD33E60C30, 8 bytes long.
 Data: <&#192;&#208;&#232;3&#205;   > C0 D0 E8 33 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001CD33E4F110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CD33E57D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001CD33E67210, 16 bytes long.
 Data: < n&#230;3&#205;           > 98 6E E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CD33E67440, 16 bytes long.
 Data: <pn&#230;3&#205;           > 70 6E E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CD33E60480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001CD33E67BC0, 16 bytes long.
 Data: <Hn&#230;3&#205;           > 48 6E E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CD33E67710, 16 bytes long.
 Data: < n&#230;3&#205;           > 20 6E E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CD33E670D0, 16 bytes long.
 Data: <&#248;m&#230;3&#205;           > F8 6D E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CD33E67B20, 16 bytes long.
 Data: <&#208;m&#230;3&#205;           > D0 6D E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CD33E66420, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001CD33E67AD0, 16 bytes long.
 Data: <x &#229;3&#205;           > 78 00 E5 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CD33E5FDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001CD33E673F0, 16 bytes long.
 Data: <P &#229;3&#205;           > 50 00 E5 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD33E67B70, 16 bytes long.
 Data: <( &#229;3&#205;           > 28 00 E5 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD33E671C0, 16 bytes long.
 Data: <  &#229;3&#205;           > 00 00 E5 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD33E673A0, 16 bytes long.
 Data: <&#216;&#255;&#228;3&#205;           > D8 FF E4 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CD33E67350, 16 bytes long.
 Data: <&#176;&#255;&#228;3&#205;           > B0 FF E4 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD33E678A0, 16 bytes long.
 Data: < &#255;&#228;3&#205;           > 88 FF E4 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CD33E607E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001CD33E67760, 16 bytes long.
 Data: <`&#255;&#228;3&#205;           > 60 FF E4 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD33E4FF60, 320 bytes long.
 Data: <`w&#230;3&#205;   &#224; &#230;3&#205;   > 60 77 E6 33 CD 01 00 00 E0 07 E6 33 CD 01 00 00 
{272} normal block at 0x000001CD33E67170, 16 bytes long.
 Data: <&#176;m&#230;3&#205;           > B0 6D E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CD33E67120, 16 bytes long.
 Data: < m&#230;3&#205;           > 88 6D E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD33E5FD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001CD33E67E40, 16 bytes long.
 Data: <`m&#230;3&#205;           > 60 6D E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CD33E5FCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001CD33E67530, 16 bytes long.
 Data: <&#168;l&#230;3&#205;           > A8 6C E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CD33E67080, 16 bytes long.
 Data: < l&#230;3&#205;           > 80 6C E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CD33E67DF0, 16 bytes long.
 Data: <Xl&#230;3&#205;           > 58 6C E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD33E672B0, 16 bytes long.
 Data: <0l&#230;3&#205;           > 30 6C E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CD33E61770, 16 bytes long.
 Data: < l&#230;3&#205;           > 08 6C E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CD33E614A0, 16 bytes long.
 Data: <&#224;k&#230;3&#205;           > E0 6B E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CD33E61400, 16 bytes long.
 Data: <&#240;h&#230;3&#205;           > F0 68 E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD33E668F0, 40 bytes long.
 Data: <  &#230;3&#205;   &#240;&#156;&#200;5&#205;   > 00 14 E6 33 CD 01 00 00 F0 9C C8 35 CD 01 00 00 
{258} normal block at 0x000001CD33E612C0, 16 bytes long.
 Data: <&#192;k&#230;3&#205;           > C0 6B E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CD33E61720, 16 bytes long.
 Data: < k&#230;3&#205;           > 98 6B E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CD33E602A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001CD33E61040, 16 bytes long.
 Data: <pk&#230;3&#205;           > 70 6B E6 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001CD33E66B70, 992 bytes long.
 Data: <@ &#230;3&#205;   &#160; &#230;3&#205;   > 40 10 E6 33 CD 01 00 00 A0 02 E6 33 CD 01 00 00 
{90} normal block at 0x000001CD33E601E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001CD33E61590, 16 bytes long.
 Data: <@&#197;&#228;3&#205;           > 40 C5 E4 33 CD 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001CD33E4C540, 40 bytes long.
 Data: <  &#230;3&#205;   &#224; &#230;3&#205;   > 90 15 E6 33 CD 01 00 00 E0 01 E6 33 CD 01 00 00 
{67} normal block at 0x000001CD33E619F0, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CD33E61AE0, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CD33E61900, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CD33E61450, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CD33E60BE0, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CD33E60B90, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CD33E61090, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CD33E61A90, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CD33E60D20, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CD33E613B0, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra