Task 38677803

Name test_442-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2375_0
Workunit 31619659
Created 26 Oct 2026, 15:27:30 UTC
Sent 26 Oct 2026, 15:27:34 UTC
Report deadline 31 Oct 2026, 15:27:34 UTC
Received 26 Oct 2026, 16:01:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 32 min 10 sec
CPU time 26 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.78 MB
Peak swap size 3.93 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:31:00 (63316): wrapper (7.9.26016): starting
08:31:00 (63316): 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
08:31:05 (63316): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:05 (63316): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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
09:00:14 (63316): C:/Windows/system32/cmd.exe exited; CPU time 1583.359375
09:00:14 (63316): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 21629255 bytes.
Dumping objects ->
{3835275} normal block at 0x000001E07B33C010, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x000001E0796BB3D0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x000001E0796BAA30, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x000001E0796BAE20, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x000001E0796BACD0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x000001E07B33C090, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x000001E07B350F60, 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) : {3835186} normal block at 0x000001E079692100, 8 bytes long.
 Data: <  ey&#224;   > 00 00 65 79 E0 01 00 00 
{3834579} normal block at 0x000001E07B3514E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x000001E079691CA0, 8 bytes long.
 Data: <&#240;&#185;8{&#224;   > F0 B9 38 7B E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001E079692FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001E079687E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001E079697DB0, 16 bytes long.
 Data: < &#135;iy&#224;           > 88 87 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E079697590, 16 bytes long.
 Data: <`&#135;iy&#224;           > 60 87 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001E07968ECE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001E079697D60, 16 bytes long.
 Data: <8&#135;iy&#224;           > 38 87 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E079697720, 16 bytes long.
 Data: < &#135;iy&#224;           > 10 87 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001E079697EA0, 16 bytes long.
 Data: <&#232;&#134;iy&#224;           > E8 86 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E0796975E0, 16 bytes long.
 Data: <&#192;&#134;iy&#224;           > C0 86 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E079690510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001E079697540, 16 bytes long.
 Data: <h hy&#224;           > 68 04 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E07968F520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001E079697C70, 16 bytes long.
 Data: <@ hy&#224;           > 40 04 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E0796978B0, 16 bytes long.
 Data: <  hy&#224;           > 18 04 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E079697860, 16 bytes long.
 Data: <&#240; hy&#224;           > F0 03 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E079697C20, 16 bytes long.
 Data: <&#200; hy&#224;           > C8 03 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E079697BD0, 16 bytes long.
 Data: <&#160; hy&#224;           > A0 03 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E0796981C0, 16 bytes long.
 Data: <x hy&#224;           > 78 03 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E07968F4C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001E079697680, 16 bytes long.
 Data: <P hy&#224;           > 50 03 68 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E079680350, 320 bytes long.
 Data: < viy&#224;   &#192;&#244;hy&#224;   > 80 76 69 79 E0 01 00 00 C0 F4 68 79 E0 01 00 00 
{290} normal block at 0x000001E079697FE0, 16 bytes long.
 Data: <&#160;&#134;iy&#224;           > A0 86 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E079698170, 16 bytes long.
 Data: <x&#134;iy&#224;           > 78 86 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E07968F2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001E079698260, 16 bytes long.
 Data: <P&#134;iy&#224;           > 50 86 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E07968F220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001E0796974F0, 16 bytes long.
 Data: < &#133;iy&#224;           > 98 85 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E079697A40, 16 bytes long.
 Data: <p&#133;iy&#224;           > 70 85 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E079698120, 16 bytes long.
 Data: <H&#133;iy&#224;           > 48 85 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E079697CC0, 16 bytes long.
 Data: < &#133;iy&#224;           > 20 85 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E079697D10, 16 bytes long.
 Data: <&#248;&#132;iy&#224;           > F8 84 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E079697810, 16 bytes long.
 Data: <&#208;&#132;iy&#224;           > D0 84 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E079697A90, 16 bytes long.
 Data: <&#224; iy&#224;           > E0 02 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E0796902E0, 40 bytes long.
 Data: < ziy&#224;    &#192;3{&#224;   > 90 7A 69 79 E0 01 00 00 90 C0 33 7B E0 01 00 00 
{276} normal block at 0x000001E079697B30, 16 bytes long.
 Data: <&#176;&#132;iy&#224;           > B0 84 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E079697AE0, 16 bytes long.
 Data: < &#132;iy&#224;           > 88 84 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E07968EE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001E0796982B0, 16 bytes long.
 Data: <`&#132;iy&#224;           > 60 84 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E079698460, 992 bytes long.
 Data: <&#176;&#130;iy&#224;    &#238;hy&#224;   > B0 82 69 79 E0 01 00 00 00 EE 68 79 E0 01 00 00 
{108} normal block at 0x000001E07968F820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001E0796921A0, 16 bytes long.
 Data: <p iy&#224;           > 70 02 69 79 E0 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001E079690270, 40 bytes long.
 Data: <&#160;!iy&#224;    &#248;hy&#224;   > A0 21 69 79 E0 01 00 00 20 F8 68 79 E0 01 00 00 
{85} normal block at 0x000001E079692830, 16 bytes long.
 Data: < &#234;&#195;V&#247;           > 80 EA C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E079691DE0, 16 bytes long.
 Data: <@&#233;&#195;V&#247;           > 40 E9 C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E079692510, 16 bytes long.
 Data: <&#248;W&#192;V&#247;           > F8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E079692790, 16 bytes long.
 Data: <&#216;W&#192;V&#247;           > D8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E079691B10, 16 bytes long.
 Data: <P &#192;V&#247;           > 50 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E079692470, 16 bytes long.
 Data: <0 &#192;V&#247;           > 30 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E079692740, 16 bytes long.
 Data: <&#224; &#192;V&#247;           > E0 02 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E079692150, 16 bytes long.
 Data: <  &#192;V&#247;           > 10 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E079692420, 16 bytes long.
 Data: <p &#192;V&#247;           > 70 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E079691E30, 16 bytes long.
 Data: < &#192;&#190;V&#247;           > 18 C0 BE 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra