Task 38675770

Name test_480-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6492_1
Workunit 31617634
Created 26 Oct 2026, 9:15:17 UTC
Sent 26 Oct 2026, 9:15:21 UTC
Report deadline 31 Oct 2026, 9:15:21 UTC
Received 26 Oct 2026, 10:37:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648094
Run time 20 min 40 sec
CPU time 19 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.49 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:28 (12568): wrapper (7.9.26016): starting
05:14:28 (12568): 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
05:14:29 (12568): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:14:29 (12568): 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
05:34:33 (12568): C:/Windows/system32/cmd.exe exited; CPU time 1177.437500
05:34:33 (12568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14696569 bytes.
Dumping objects ->
{3835569} normal block at 0x00000229FF193E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000229FF194220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000229FF193F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000229FF194140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000229FF193B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x00000229FFA597B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x00000229FF26E4B0, 235 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) : {3835480} normal block at 0x00000229FF18E360, 8 bytes long.
 Data: <  V&#255;)   > 00 00 56 FF 29 02 00 00 
{3834703} normal block at 0x00000229FF17D670, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000229FF18E6D0, 8 bytes long.
 Data: <&#192;&#234;&&#255;)   > C0 EA 26 FF 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000229FF190A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000229FF180650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000229FF1953A0, 16 bytes long.
 Data: < ] &#255;)           > 18 5D 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229FF195260, 16 bytes long.
 Data: <&#240;\ &#255;)           > F0 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000229FF18FF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000229FF195210, 16 bytes long.
 Data: <&#200;\ &#255;)           > C8 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229FF1954E0, 16 bytes long.
 Data: <&#160;\ &#255;)           > A0 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229FF195530, 16 bytes long.
 Data: <x\ &#255;)           > 78 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229FF1951C0, 16 bytes long.
 Data: <P\ &#255;)           > 50 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000229FF17C5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000229FF1950D0, 16 bytes long.
 Data: < &#180; &#255;)           > 08 B4 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229FF18F280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000229FF195080, 16 bytes long.
 Data: <&#224;&#179; &#255;)           > E0 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229FF195350, 16 bytes long.
 Data: <&#184;&#179; &#255;)           > B8 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229FF194F40, 16 bytes long.
 Data: < &#179; &#255;)           > 90 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229FF194680, 16 bytes long.
 Data: <h&#179; &#255;)           > 68 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229FF194E00, 16 bytes long.
 Data: <@&#179; &#255;)           > 40 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229FF194950, 16 bytes long.
 Data: < &#179; &#255;)           > 18 B3 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000229FF1900C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000229FF195030, 16 bytes long.
 Data: <&#240;&#178; &#255;)           > F0 B2 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000229FF17B2F0, 320 bytes long.
 Data: <0P &#255;)   &#192;  &#255;)   > 30 50 19 FF 29 02 00 00 C0 00 19 FF 29 02 00 00 
{273} normal block at 0x00000229FF195300, 16 bytes long.
 Data: <0\ &#255;)           > 30 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229FF194810, 16 bytes long.
 Data: < \ &#255;)           > 08 5C 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000229FF18FC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000229FF194EA0, 16 bytes long.
 Data: <&#224;[ &#255;)           > E0 5B 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000229FF18F5E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000229FF194FE0, 16 bytes long.
 Data: <([ &#255;)           > 28 5B 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229FF194EF0, 16 bytes long.
 Data: < [ &#255;)           > 00 5B 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229FF194DB0, 16 bytes long.
 Data: <&#216;Z &#255;)           > D8 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229FF195440, 16 bytes long.
 Data: <&#176;Z &#255;)           > B0 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229FF195170, 16 bytes long.
 Data: < Z &#255;)           > 88 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000229FF1952B0, 16 bytes long.
 Data: <`Z &#255;)           > 60 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229FF194F90, 16 bytes long.
 Data: < C &#255;)           > 20 43 18 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000229FF184320, 40 bytes long.
 Data: < O &#255;)   &#176;&#151;&#165;&#255;)   > 90 4F 19 FF 29 02 00 00 B0 97 A5 FF 29 02 00 00 
{259} normal block at 0x00000229FF194C20, 16 bytes long.
 Data: <@Z &#255;)           > 40 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000229FF1953F0, 16 bytes long.
 Data: < Z &#255;)           > 18 5A 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000229FF190180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000229FF195490, 16 bytes long.
 Data: <&#240;Y &#255;)           > F0 59 19 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000229FF1959F0, 992 bytes long.
 Data: < T &#255;)      &#255;)   > 90 54 19 FF 29 02 00 00 80 01 19 FF 29 02 00 00 
{91} normal block at 0x00000229FF18F460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000229FF18EA40, 16 bytes long.
 Data: <&#160;&#219; &#255;)           > A0 DB 17 FF 29 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000229FF17DBA0, 40 bytes long.
 Data: <@&#234; &#255;)   `&#244; &#255;)   > 40 EA 18 FF 29 02 00 00 60 F4 18 FF 29 02 00 00 
{68} normal block at 0x00000229FF18E4A0, 16 bytes long.
 Data: < &#234; &#222;&#246;           > 80 EA 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000229FF18E2C0, 16 bytes long.
 Data: <@&#233; &#222;&#246;           > 40 E9 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000229FF18E630, 16 bytes long.
 Data: <&#248;W &#222;&#246;           > F8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000229FF18E450, 16 bytes long.
 Data: <&#216;W &#222;&#246;           > D8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000229FF18EF40, 16 bytes long.
 Data: <P  &#222;&#246;           > 50 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229FF18E860, 16 bytes long.
 Data: <0  &#222;&#246;           > 30 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229FF18EFE0, 16 bytes long.
 Data: <&#224;  &#222;&#246;           > E0 02 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229FF18E5E0, 16 bytes long.
 Data: <   &#222;&#246;           > 10 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229FF18E590, 16 bytes long.
 Data: <p  &#222;&#246;           > 70 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000229FF18EBD0, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 0A DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra