Task 38661142

Name test_544-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2259_0
Workunit 31604580
Created 24 Oct 2026, 15:17:22 UTC
Sent 24 Oct 2026, 15:22:54 UTC
Report deadline 29 Oct 2026, 15:22:54 UTC
Received 24 Oct 2026, 21:30:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 38 min 17 sec
CPU time 38 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.89 MB
Peak swap size 5.36 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:17:18 (43384): wrapper (7.9.26016): starting
17:17:18 (43384): 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
17:17:19 (43384): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:17:19 (43384): 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
17:56:57 (43384): C:/Windows/system32/cmd.exe exited; CPU time 2297.734375
17:56:57 (43384): 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: 50857833 bytes.
Dumping objects ->
{3835612} normal block at 0x000001FF376ECE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x000001FF376ECDD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001FF376ED150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x000001FF35914870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x000001FF35914800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x000001FF37737340, 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) : {3835524} normal block at 0x000001FF3590EB20, 8 bytes long.
 Data: <  &#224;5&#255;   > 00 00 E0 35 FF 01 00 00 
{3833967} normal block at 0x000001FF3590EFD0, 8 bytes long.
 Data: <&#192;Z|7&#255;   > C0 5A 7C 37 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FF35910C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FF35906160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001FF359154E0, 16 bytes long.
 Data: < f&#145;5&#255;           > 88 66 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FF35915670, 16 bytes long.
 Data: <`f&#145;5&#255;           > 60 66 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FF359100A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001FF359161B0, 16 bytes long.
 Data: <8f&#145;5&#255;           > 38 66 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FF35915490, 16 bytes long.
 Data: < f&#145;5&#255;           > 10 66 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF359157B0, 16 bytes long.
 Data: <&#232;e&#145;5&#255;           > E8 65 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FF35915580, 16 bytes long.
 Data: <&#192;e&#145;5&#255;           > C0 65 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FF35914C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001FF35915BC0, 16 bytes long.
 Data: < &#181; 5&#255;           > 98 B5 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF35910580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001FF35915F30, 16 bytes long.
 Data: <p&#181; 5&#255;           > 70 B5 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF35915E90, 16 bytes long.
 Data: <H&#181; 5&#255;           > 48 B5 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF35915990, 16 bytes long.
 Data: < &#181; 5&#255;           > 20 B5 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FF35915800, 16 bytes long.
 Data: <&#248;&#180; 5&#255;           > F8 B4 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF35915530, 16 bytes long.
 Data: <&#208;&#180; 5&#255;           > D0 B4 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF35915440, 16 bytes long.
 Data: <&#168;&#180; 5&#255;           > A8 B4 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF3590FA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001FF35915DF0, 16 bytes long.
 Data: < &#180; 5&#255;           > 80 B4 8F 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF358FB480, 320 bytes long.
 Data: <&#240;]&#145;5&#255;   @&#250; 5&#255;   > F0 5D 91 35 FF 01 00 00 40 FA 90 35 FF 01 00 00 
{279} normal block at 0x000001FF35915C60, 16 bytes long.
 Data: <&#160;e&#145;5&#255;           > A0 65 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF35915940, 16 bytes long.
 Data: <xe&#145;5&#255;           > 78 65 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF3590FF20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001FF35915850, 16 bytes long.
 Data: <Pe&#145;5&#255;           > 50 65 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF3590F8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001FF35915A80, 16 bytes long.
 Data: < d&#145;5&#255;           > 98 64 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF359153A0, 16 bytes long.
 Data: <pd&#145;5&#255;           > 70 64 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FF35915F80, 16 bytes long.
 Data: <Hd&#145;5&#255;           > 48 64 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF35916200, 16 bytes long.
 Data: < d&#145;5&#255;           > 20 64 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF359159E0, 16 bytes long.
 Data: <&#248;c&#145;5&#255;           > F8 63 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF35915AD0, 16 bytes long.
 Data: <&#208;c&#145;5&#255;           > D0 63 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF359155D0, 16 bytes long.
 Data: <&#176;M&#145;5&#255;           > B0 4D 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF35914DB0, 40 bytes long.
 Data: <&#208;U&#145;5&#255;   @ss7&#255;   > D0 55 91 35 FF 01 00 00 40 73 73 37 FF 01 00 00 
{265} normal block at 0x000001FF35915DA0, 16 bytes long.
 Data: <&#176;c&#145;5&#255;           > B0 63 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF35915C10, 16 bytes long.
 Data: < c&#145;5&#255;           > 88 63 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF35910100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001FF359153F0, 16 bytes long.
 Data: <`c&#145;5&#255;           > 60 63 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF35916360, 992 bytes long.
 Data: <&#240;S&#145;5&#255;     &#145;5&#255;   > F0 53 91 35 FF 01 00 00 00 01 91 35 FF 01 00 00 
{97} normal block at 0x000001FF35910220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001FF3590EDF0, 16 bytes long.
 Data: <&#224;H&#145;5&#255;           > E0 48 91 35 FF 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FF359148E0, 40 bytes long.
 Data: <&#240;&#237; 5&#255;     &#145;5&#255;   > F0 ED 90 35 FF 01 00 00 20 02 91 35 FF 01 00 00 
{74} normal block at 0x000001FF3590F1B0, 16 bytes long.
 Data: < &#234;&#164;%&#246;           > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FF3590EAD0, 16 bytes long.
 Data: <@&#233;&#164;%&#246;           > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FF3590E8A0, 16 bytes long.
 Data: <&#248;W&#161;%&#246;           > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FF3590EEE0, 16 bytes long.
 Data: <&#216;W&#161;%&#246;           > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FF3590F4D0, 16 bytes long.
 Data: <P &#161;%&#246;           > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FF3590EDA0, 16 bytes long.
 Data: <0 &#161;%&#246;           > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FF3590F6B0, 16 bytes long.
 Data: <&#224; &#161;%&#246;           > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FF3590F7A0, 16 bytes long.
 Data: <  &#161;%&#246;           > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF3590F160, 16 bytes long.
 Data: <p &#161;%&#246;           > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF3590E940, 16 bytes long.
 Data: < &#192;&#159;%&#246;           > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra