Task 38658301

Name test_418-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND1952_0
Workunit 31601890
Created 24 Oct 2026, 12:31:18 UTC
Sent 24 Oct 2026, 12:41:59 UTC
Report deadline 29 Oct 2026, 12:41:59 UTC
Received 24 Oct 2026, 13:22:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 19 min 37 sec
CPU time 18 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.04 MB
Peak swap size 12.97 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:03:03 (38924): wrapper (7.9.26016): starting
16:03:03 (38924): 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
16:03:04 (38924): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:03:04 (38924): 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\15\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\15\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
16:21:54 (38924): C:/Windows/system32/cmd.exe exited; CPU time 1091.750000
16:21:54 (38924): 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: 24370949 bytes.
Dumping objects ->
{3835275} normal block at 0x0000020E133460B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000020E11825900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000020E11825CF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x0000020E11825C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000020E11825890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x0000020E11849D90, 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) : {3835187} normal block at 0x0000020E1181E090, 8 bytes long.
 Data: <  z     > 00 00 7A 11 0E 02 00 00 
{3833939} normal block at 0x0000020E1181E040, 8 bytes long.
 Data: < &#226;      > 00 E2 8F 11 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000020E1181F000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E11815C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000020E11826A90, 16 bytes long.
 Data: <8e&#130;             > 38 65 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E11826860, 16 bytes long.
 Data: < e&#130;             > 10 65 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E11824FB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000020E11826A40, 16 bytes long.
 Data: <&#232;d&#130;             > E8 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E118269F0, 16 bytes long.
 Data: <&#192;d&#130;             > C0 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E118272B0, 16 bytes long.
 Data: < d&#130;             > 98 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E118270D0, 16 bytes long.
 Data: <pd&#130;             > 70 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E11825820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000020E11827580, 16 bytes long.
 Data: <&#248;`&#130;             > F8 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E11824830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000020E11826950, 16 bytes long.
 Data: <&#208;`&#130;             > D0 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E118269A0, 16 bytes long.
 Data: <&#168;`&#130;             > A8 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E118267C0, 16 bytes long.
 Data: < `&#130;             > 80 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E11827260, 16 bytes long.
 Data: <X`&#130;             > 58 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E11827530, 16 bytes long.
 Data: <0`&#130;             > 30 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E11826E00, 16 bytes long.
 Data: < `&#130;             > 08 60 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E11825310, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000020E11826B30, 16 bytes long.
 Data: <&#224;_&#130;             > E0 5F 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020E11825FE0, 320 bytes long.
 Data: <0k&#130;      S&#130;     > 30 6B 82 11 0E 02 00 00 10 53 82 11 0E 02 00 00 
{265} normal block at 0x0000020E11826EA0, 16 bytes long.
 Data: <Pd&#130;             > 50 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E118273F0, 16 bytes long.
 Data: <(d&#130;             > 28 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020E11824CB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000020E118274E0, 16 bytes long.
 Data: < d&#130;             > 00 64 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E118249B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000020E11826F40, 16 bytes long.
 Data: <Hc&#130;             > 48 63 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E11826FE0, 16 bytes long.
 Data: < c&#130;             > 20 63 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020E11827490, 16 bytes long.
 Data: <&#248;b&#130;             > F8 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020E11827210, 16 bytes long.
 Data: <&#208;b&#130;             > D0 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020E11826EF0, 16 bytes long.
 Data: <&#168;b&#130;             > A8 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020E1181E3B0, 16 bytes long.
 Data: < b&#130;             > 80 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020E1181E2C0, 16 bytes long.
 Data: <&#208;]&#130;             > D0 5D 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020E11825DD0, 40 bytes long.
 Data: <&#192;&#226;        &#132;     > C0 E2 81 11 0E 02 00 00 90 9D 84 11 0E 02 00 00 
{251} normal block at 0x0000020E1181E130, 16 bytes long.
 Data: <`b&#130;             > 60 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020E1181DFF0, 16 bytes long.
 Data: <8b&#130;             > 38 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000020E11824590, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000020E1181E770, 16 bytes long.
 Data: < b&#130;             > 10 62 82 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000020E11826210, 992 bytes long.
 Data: <p&#231;       E&#130;     > 70 E7 81 11 0E 02 00 00 90 45 82 11 0E 02 00 00 
{83} normal block at 0x0000020E1180F840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000020E1181E450, 16 bytes long.
 Data: <&#192;&#237;              > C0 ED 80 11 0E 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020E1180EDC0, 40 bytes long.
 Data: <P&#228;      @&#248;      > 50 E4 81 11 0E 02 00 00 40 F8 80 11 0E 02 00 00 
{60} normal block at 0x0000020E1181E630, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020E1181E5E0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020E1181D9B0, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020E1181DF50, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020E1181D960, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020E1181E680, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020E1181DEB0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020E1181E4F0, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020E1181DCD0, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000020E1181DE60, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra