Task 38671249

Name test_172-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1659_0
Workunit 31613460
Created 25 Oct 2026, 19:57:11 UTC
Sent 25 Oct 2026, 19:57:13 UTC
Report deadline 30 Oct 2026, 19:57:13 UTC
Received 25 Oct 2026, 20:58:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652945
Run time 23 min 28 sec
CPU time 19 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.65 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:35:10 (6120): wrapper (7.9.26016): starting
21:35:10 (6120): 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
21:35:11 (6120): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:35:11 (6120): 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
21:57:48 (6120): C:/Windows/system32/cmd.exe exited; CPU time 1176.781250
21:57:48 (6120): 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: 27875677 bytes.
Dumping objects ->
{3835496} normal block at 0x000002464202BE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x000002464202BE90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x000002464202B950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835463} normal block at 0x000002464202B4F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835452} normal block at 0x000002464202B640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835421} normal block at 0x0000024643D1BDB0, 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) : {3835408} normal block at 0x0000024642007C10, 8 bytes long.
 Data: <  &#229;AF   > 00 00 E5 41 46 02 00 00 
{3833971} normal block at 0x0000024642007A80, 8 bytes long.
 Data: < &#233; BF   > 20 E9 02 42 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000024641FFD1F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000024641FF62C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000024642001960, 16 bytes long.
 Data: <&#168;&#184; BF           > A8 B8 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024642001690, 16 bytes long.
 Data: < &#184; BF           > 80 B8 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002464204A7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000024642001410, 16 bytes long.
 Data: <X&#184; BF           > 58 B8 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024642001370, 16 bytes long.
 Data: <0&#184; BF           > 30 B8 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024642001910, 16 bytes long.
 Data: < &#184; BF           > 08 B8 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024642001320, 16 bytes long.
 Data: <&#224;&#183; BF           > E0 B7 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024642002CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000024642001870, 16 bytes long.
 Data: <xk BF           > 78 6B 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002464204AA40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000246420014B0, 16 bytes long.
 Data: <Pk BF           > 50 6B 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000246420012D0, 16 bytes long.
 Data: <(k BF           > 28 6B 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024642001280, 16 bytes long.
 Data: < k BF           > 00 6B 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000246420013C0, 16 bytes long.
 Data: <&#216;j BF           > D8 6A 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024642007530, 16 bytes long.
 Data: <&#176;j BF           > B0 6A 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024642007BC0, 16 bytes long.
 Data: < j BF           > 88 6A 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002464204A9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000024642007B20, 16 bytes long.
 Data: <`j BF           > 60 6A 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024642006A60, 320 bytes long.
 Data: < { BF   &#224;&#169; BF   > 20 7B 00 42 46 02 00 00 E0 A9 04 42 46 02 00 00 
{281} normal block at 0x0000024642007990, 16 bytes long.
 Data: <&#192;&#183; BF           > C0 B7 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000246420078A0, 16 bytes long.
 Data: < &#183; BF           > 98 B7 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002464204A8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000024642007AD0, 16 bytes long.
 Data: <p&#183; BF           > 70 B7 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002464204B1C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000024642007850, 16 bytes long.
 Data: <&#184;&#182; BF           > B8 B6 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000246420078F0, 16 bytes long.
 Data: < &#182; BF           > 90 B6 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024642007B70, 16 bytes long.
 Data: <h&#182; BF           > 68 B6 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024642007800, 16 bytes long.
 Data: <@&#182; BF           > 40 B6 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024642007940, 16 bytes long.
 Data: < &#182; BF           > 18 B6 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246420077B0, 16 bytes long.
 Data: <&#240;&#181; BF           > F0 B5 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024642007710, 16 bytes long.
 Data: <P0 BF           > 50 30 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024642003050, 40 bytes long.
 Data: < w BF   &#176;&#189;&#209;CF   > 10 77 00 42 46 02 00 00 B0 BD D1 43 46 02 00 00 
{267} normal block at 0x00000246420076C0, 16 bytes long.
 Data: <&#208;&#181; BF           > D0 B5 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024642007C60, 16 bytes long.
 Data: <&#168;&#181; BF           > A8 B5 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002464204A980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000246420075D0, 16 bytes long.
 Data: < &#181; BF           > 80 B5 04 42 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002464204B580, 992 bytes long.
 Data: <&#208;u BF    &#169; BF   > D0 75 00 42 46 02 00 00 80 A9 04 42 46 02 00 00 
{99} normal block at 0x0000024641FFFFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000024642001640, 16 bytes long.
 Data: < 2 BF           > 10 32 00 42 46 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000024642003210, 40 bytes long.
 Data: <@  BF   &#160;&#255;&#255;AF   > 40 16 00 42 46 02 00 00 A0 FF FF 41 46 02 00 00 
{76} normal block at 0x0000024642001460, 16 bytes long.
 Data: < &#234;&#245;&#179;&#247;           > 80 EA F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000246420018C0, 16 bytes long.
 Data: <@&#233;&#245;&#179;&#247;           > 40 E9 F5 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000024642001D70, 16 bytes long.
 Data: <&#248;W&#242;&#179;&#247;           > F8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024642001DC0, 16 bytes long.
 Data: <&#216;W&#242;&#179;&#247;           > D8 57 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024642001D20, 16 bytes long.
 Data: <P &#242;&#179;&#247;           > 50 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024642001820, 16 bytes long.
 Data: <0 &#242;&#179;&#247;           > 30 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024642001190, 16 bytes long.
 Data: <&#224; &#242;&#179;&#247;           > E0 02 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024642001C30, 16 bytes long.
 Data: <  &#242;&#179;&#247;           > 10 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024642001C80, 16 bytes long.
 Data: <p &#242;&#179;&#247;           > 70 04 F2 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024642001FA0, 16 bytes long.
 Data: < &#192;&#240;&#179;&#247;           > 18 C0 F0 B3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra