Task 38687176

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7021_0
Workunit 31628574
Created 28 Oct 2026, 6:23:18 UTC
Sent 28 Oct 2026, 6:23:20 UTC
Report deadline 2 Nov 2026, 6:23:20 UTC
Received 28 Oct 2026, 7:27:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 56 min 7 sec
CPU time 39 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.20 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:32:17 (5252): wrapper (7.9.26016): starting
02:32:17 (5252): 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
02:32:19 (5252): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:32:19 (5252): 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\Boinc2\slots\1\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\Boinc2\slots\1\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
03:27:16 (5252): C:/Windows/system32/cmd.exe exited; CPU time 2393.062500
03:27:16 (5252): 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: 40498597 bytes.
Dumping objects ->
{3835332} normal block at 0x000001A97FDB4CD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x000001A97FDB49C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000001A97FDB46B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x000001A97FDB4AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000001A97FDB4B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x000001A97FCCC3B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001A97FD2D4D0, 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) : {3835243} normal block at 0x000001A97F4E6950, 8 bytes long.
 Data: <  &#187; &#169;   > 00 00 BB 7F A9 01 00 00 
{3834581} normal block at 0x000001A97FD2D000, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001A97F4E7350, 8 bytes long.
 Data: <&#240;W&#219; &#169;   > F0 57 DB 7F A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001A97F4F02C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A97F4DAB40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001A97F4F10D0, 16 bytes long.
 Data: <&#200;7O &#169;           > C8 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A97F4F1B20, 16 bytes long.
 Data: <&#160;7O &#169;           > A0 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A97F4ED620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001A97F4F1DA0, 16 bytes long.
 Data: <x7O &#169;           > 78 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A97F4F1170, 16 bytes long.
 Data: <P7O &#169;           > 50 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A97F4F17B0, 16 bytes long.
 Data: <(7O &#169;           > 28 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A97F4F1760, 16 bytes long.
 Data: < 7O &#169;           > 00 37 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A97F4EB230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001A97F4F1A30, 16 bytes long.
 Data: <&#248;&#197;N &#169;           > F8 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A97F4EC8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001A97F4F1C60, 16 bytes long.
 Data: <&#208;&#197;N &#169;           > D0 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A97F4F1710, 16 bytes long.
 Data: <&#168;&#197;N &#169;           > A8 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A97F4F1620, 16 bytes long.
 Data: < &#197;N &#169;           > 80 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A97F4F18A0, 16 bytes long.
 Data: <X&#197;N &#169;           > 58 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A97F4F1FD0, 16 bytes long.
 Data: <0&#197;N &#169;           > 30 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A97F4F1300, 16 bytes long.
 Data: < &#197;N &#169;           > 08 C5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A97F4ED4A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001A97F4F14E0, 16 bytes long.
 Data: <&#224;&#196;N &#169;           > E0 C4 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A97F4EC4E0, 320 bytes long.
 Data: <&#224; O &#169;   &#160;&#212;N &#169;   > E0 14 4F 7F A9 01 00 00 A0 D4 4E 7F A9 01 00 00 
{270} normal block at 0x000001A97F4F1440, 16 bytes long.
 Data: <&#224;6O &#169;           > E0 36 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A97F4F1850, 16 bytes long.
 Data: <&#184;6O &#169;           > B8 36 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A97F4ED080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001A97F4F16C0, 16 bytes long.
 Data: < 6O &#169;           > 90 36 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A97F4ECD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001A97F4F1C10, 16 bytes long.
 Data: <&#216;5O &#169;           > D8 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A97F4F1BC0, 16 bytes long.
 Data: <&#176;5O &#169;           > B0 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A97F4F1120, 16 bytes long.
 Data: < 5O &#169;           > 88 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A97F4F1F80, 16 bytes long.
 Data: <`5O &#169;           > 60 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A97F4F1AD0, 16 bytes long.
 Data: <85O &#169;           > 38 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A97F4F1B70, 16 bytes long.
 Data: < 5O &#169;           > 10 35 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A97F4F13A0, 16 bytes long.
 Data: <&#176;&#181;N &#169;           > B0 B5 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A97F4EB5B0, 40 bytes long.
 Data: <&#160; O &#169;   &#176;&#195;&#204; &#169;   > A0 13 4F 7F A9 01 00 00 B0 C3 CC 7F A9 01 00 00 
{256} normal block at 0x000001A97F4F1350, 16 bytes long.
 Data: <&#240;4O &#169;           > F0 34 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A97F4F2020, 16 bytes long.
 Data: <&#200;4O &#169;           > C8 34 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001A97F4ED560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001A97F4F1800, 16 bytes long.
 Data: <&#160;4O &#169;           > A0 34 4F 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A97F4F34A0, 992 bytes long.
 Data: <  O &#169;   `&#213;N &#169;   > 00 18 4F 7F A9 01 00 00 60 D5 4E 7F A9 01 00 00 
{88} normal block at 0x000001A97F4ED140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001A97F4E7210, 16 bytes long.
 Data: <0&#185;N &#169;           > 30 B9 4E 7F A9 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001A97F4EB930, 40 bytes long.
 Data: < rN &#169;   @&#209;N &#169;   > 10 72 4E 7F A9 01 00 00 40 D1 4E 7F A9 01 00 00 
{65} normal block at 0x000001A97F4E6770, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A97F4E71C0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A97F4E7300, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A97F4E6CC0, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A97F4E6F90, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A97F4E6EF0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A97F4E6F40, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A97F4E6EA0, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A97F4E6540, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A97F4E70D0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra