Task 38686459

Name test_406-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8261_0
Workunit 31627891
Created 28 Oct 2026, 2:37:31 UTC
Sent 28 Oct 2026, 2:37:34 UTC
Report deadline 2 Nov 2026, 2:37:34 UTC
Received 28 Oct 2026, 3:56:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 19 min 53 sec
CPU time 16 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.32 MB
Peak swap size 8.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:37:12 (24328): wrapper (7.9.26016): starting
04:37:12 (24328): 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
04:37:13 (24328): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:37:13 (24328): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
04:56:32 (24328): C:/Windows/system32/cmd.exe exited; CPU time 983.234375
04:56:32 (24328): 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: 20804141 bytes.
Dumping objects ->
{3835289} normal block at 0x000002325535A4F0, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x0000023255359ED0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x0000023255334E70, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x0000023255334E00, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x0000023255334D90, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x0000023257087EB0, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000002325709EEF0, 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) : {3835200} normal block at 0x000002325532DD10, 8 bytes long.
 Data: <  &#140;U2   > 00 00 8C 55 32 02 00 00 
{3834573} normal block at 0x000002325709EB80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002325532DB80, 8 bytes long.
 Data: <P_ W2   > 50 5F 0E 57 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023255331830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000232553263F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000023255336580, 16 bytes long.
 Data: < l3U2           > 88 6C 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023255336350, 16 bytes long.
 Data: <`l3U2           > 60 6C 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002325532FD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000023255335C20, 16 bytes long.
 Data: <8l3U2           > 38 6C 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023255336530, 16 bytes long.
 Data: < l3U2           > 10 6C 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023255336260, 16 bytes long.
 Data: <&#232;k3U2           > E8 6B 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000232553360D0, 16 bytes long.
 Data: <&#192;k3U2           > C0 6B 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000232553351F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000023255336300, 16 bytes long.
 Data: < &#147;2U2           > 98 93 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002325532F500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000023255335DB0, 16 bytes long.
 Data: <p&#147;2U2           > 70 93 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023255336210, 16 bytes long.
 Data: <H&#147;2U2           > 48 93 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023255336080, 16 bytes long.
 Data: < &#147;2U2           > 20 93 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023255336030, 16 bytes long.
 Data: <&#248;&#146;2U2           > F8 92 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000232553359F0, 16 bytes long.
 Data: <&#208;&#146;2U2           > D0 92 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023255336710, 16 bytes long.
 Data: <&#168;&#146;2U2           > A8 92 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002325532F7A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000232553359A0, 16 bytes long.
 Data: < &#146;2U2           > 80 92 32 55 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023255329280, 320 bytes long.
 Data: <&#160;Y3U2   &#160;&#247;2U2   > A0 59 33 55 32 02 00 00 A0 F7 32 55 32 02 00 00 
{278} normal block at 0x00000232553368F0, 16 bytes long.
 Data: <&#160;k3U2           > A0 6B 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023255336670, 16 bytes long.
 Data: <xk3U2           > 78 6B 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000232553300A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000023255335AE0, 16 bytes long.
 Data: <Pk3U2           > 50 6B 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002325532FB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000023255336620, 16 bytes long.
 Data: < j3U2           > 98 6A 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000232553365D0, 16 bytes long.
 Data: <pj3U2           > 70 6A 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000232553362B0, 16 bytes long.
 Data: <Hj3U2           > 48 6A 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000232553363A0, 16 bytes long.
 Data: < j3U2           > 20 6A 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023255336440, 16 bytes long.
 Data: <&#248;i3U2           > F8 69 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000232553361C0, 16 bytes long.
 Data: <&#208;i3U2           > D0 69 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023255336760, 16 bytes long.
 Data: <&#160;P3U2           > A0 50 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000232553350A0, 40 bytes long.
 Data: <`g3U2   &#176;~ W2   > 60 67 33 55 32 02 00 00 B0 7E 08 57 32 02 00 00 
{264} normal block at 0x0000023255335A90, 16 bytes long.
 Data: <&#176;i3U2           > B0 69 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023255336850, 16 bytes long.
 Data: < i3U2           > 88 69 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002325532F4A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000023255335BD0, 16 bytes long.
 Data: <`i3U2           > 60 69 33 55 32 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023255336960, 992 bytes long.
 Data: <&#208;[3U2   &#160;&#244;2U2   > D0 5B 33 55 32 02 00 00 A0 F4 32 55 32 02 00 00 
{96} normal block at 0x000002325532FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002325532D950, 16 bytes long.
 Data: < &#231;1U2           > 80 E7 31 55 32 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002325531E780, 40 bytes long.
 Data: <P&#217;2U2   &#160;&#250;2U2   > 50 D9 32 55 32 02 00 00 A0 FA 32 55 32 02 00 00 
{73} normal block at 0x000002325532D900, 16 bytes long.
 Data: < &#234;&#245;7&#246;           > 80 EA F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002325532D8B0, 16 bytes long.
 Data: <@&#233;&#245;7&#246;           > 40 E9 F5 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002325532D6D0, 16 bytes long.
 Data: <&#248;W&#242;7&#246;           > F8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002325532E0D0, 16 bytes long.
 Data: <&#216;W&#242;7&#246;           > D8 57 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002325532D590, 16 bytes long.
 Data: <P &#242;7&#246;           > 50 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002325532E260, 16 bytes long.
 Data: <0 &#242;7&#246;           > 30 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002325532DFE0, 16 bytes long.
 Data: <&#224; &#242;7&#246;           > E0 02 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002325532D9F0, 16 bytes long.
 Data: <  &#242;7&#246;           > 10 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002325532D630, 16 bytes long.
 Data: <p &#242;7&#246;           > 70 04 F2 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002325532D860, 16 bytes long.
 Data: < &#192;&#240;7&#246;           > 18 C0 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra