Task 38688480

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5245_0
Workunit 31629828
Created 28 Oct 2026, 14:09:52 UTC
Sent 28 Oct 2026, 14:09:57 UTC
Report deadline 2 Nov 2026, 14:09:57 UTC
Received 28 Oct 2026, 17:02:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629236
Run time 1 hours 17 min 36 sec
CPU time 1 hours 10 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,386.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.67 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:43:42 (32108): wrapper (7.9.26016): starting
16:43:42 (32108): 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
16:43:45 (32108): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:43:45 (32108): 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\11\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\11\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
17:59:19 (32108): C:/Windows/system32/cmd.exe exited; CPU time 4250.531250
17:59:19 (32108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 80460476 bytes.
Dumping objects ->
{3835279} normal block at 0x00000252EF391250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x00000252EF390990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000252EF390E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x00000252EF390B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000252EF390AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x00000252EF43B440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x00000252EF43CFF0, 85 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) : {3835190} normal block at 0x00000252ED876CC0, 8 bytes long.
 Data: <  &#133;&#237;R   > 00 00 85 ED 52 02 00 00 
{3834561} normal block at 0x00000252EF43C370, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000252ED876950, 8 bytes long.
 Data: <&#192;&#147;&#134;&#237;R   > C0 93 86 ED 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000252ED8815B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252ED8824F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000252ED8829B0, 16 bytes long.
 Data: <&#216;8 &#237;R           > D8 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000252ED882E10, 16 bytes long.
 Data: <&#176;8 &#237;R           > B0 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000252ED87C850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000252ED883450, 16 bytes long.
 Data: < 8 &#237;R           > 88 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252ED882CD0, 16 bytes long.
 Data: <`8 &#237;R           > 60 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000252ED882DC0, 16 bytes long.
 Data: <88 &#237;R           > 38 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000252ED883400, 16 bytes long.
 Data: < 8 &#237;R           > 10 38 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000252ED87B6D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000252ED883270, 16 bytes long.
 Data: < $ &#237;R           > 88 24 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000252ED87D5D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000252ED882960, 16 bytes long.
 Data: <`$ &#237;R           > 60 24 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252ED8833B0, 16 bytes long.
 Data: <8$ &#237;R           > 38 24 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000252ED882E60, 16 bytes long.
 Data: < $ &#237;R           > 10 24 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000252ED883220, 16 bytes long.
 Data: <&#232;# &#237;R           > E8 23 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000252ED882870, 16 bytes long.
 Data: <&#192;# &#237;R           > C0 23 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000252ED882C30, 16 bytes long.
 Data: < # &#237;R           > 98 23 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252ED87D510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000252ED882BE0, 16 bytes long.
 Data: <p# &#237;R           > 70 23 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000252ED882370, 320 bytes long.
 Data: <&#224;+ &#237;R    &#213;&#135;&#237;R   > E0 2B 88 ED 52 02 00 00 10 D5 87 ED 52 02 00 00 
{271} normal block at 0x00000252ED883180, 16 bytes long.
 Data: <&#240;7 &#237;R           > F0 37 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000252ED883310, 16 bytes long.
 Data: <&#200;7 &#237;R           > C8 37 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000252ED87D4B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000252ED882F50, 16 bytes long.
 Data: <&#160;7 &#237;R           > A0 37 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000252ED87CD90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000252ED882B40, 16 bytes long.
 Data: <&#232;6 &#237;R           > E8 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000252ED882C80, 16 bytes long.
 Data: <&#192;6 &#237;R           > C0 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000252ED883540, 16 bytes long.
 Data: < 6 &#237;R           > 98 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000252ED8830E0, 16 bytes long.
 Data: <p6 &#237;R           > 70 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000252ED882B90, 16 bytes long.
 Data: <H6 &#237;R           > 48 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000252ED882820, 16 bytes long.
 Data: < 6 &#237;R           > 20 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000252ED883090, 16 bytes long.
 Data: <`&#182;&#135;&#237;R           > 60 B6 87 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000252ED87B660, 40 bytes long.
 Data: < 0 &#237;R   @&#180;C&#239;R   > 90 30 88 ED 52 02 00 00 40 B4 43 EF 52 02 00 00 
{257} normal block at 0x00000252ED883040, 16 bytes long.
 Data: < 6 &#237;R           > 00 36 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000252ED8832C0, 16 bytes long.
 Data: <&#216;5 &#237;R           > D8 35 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000252ED87CCD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000252ED882AF0, 16 bytes long.
 Data: <&#176;5 &#237;R           > B0 35 88 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000252ED8835B0, 992 bytes long.
 Data: <&#240;* &#237;R   &#208;&#204;&#135;&#237;R   > F0 2A 88 ED 52 02 00 00 D0 CC 87 ED 52 02 00 00 
{89} normal block at 0x00000252ED87CB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000252ED8764F0, 16 bytes long.
 Data: <P&#179;&#135;&#237;R           > 50 B3 87 ED 52 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000252ED87B350, 40 bytes long.
 Data: <&#240;d&#135;&#237;R   P&#203;&#135;&#237;R   > F0 64 87 ED 52 02 00 00 50 CB 87 ED 52 02 00 00 
{66} normal block at 0x00000252ED876810, 16 bytes long.
 Data: < &#234; &#177;&#247;           > 80 EA 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000252ED876720, 16 bytes long.
 Data: <@&#233; &#177;&#247;           > 40 E9 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000252ED876FE0, 16 bytes long.
 Data: <&#248;W&#154;&#177;&#247;           > F8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000252ED876400, 16 bytes long.
 Data: <&#216;W&#154;&#177;&#247;           > D8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000252ED877300, 16 bytes long.
 Data: <P &#154;&#177;&#247;           > 50 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000252ED876C20, 16 bytes long.
 Data: <0 &#154;&#177;&#247;           > 30 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000252ED876F40, 16 bytes long.
 Data: <&#224; &#154;&#177;&#247;           > E0 02 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000252ED876F90, 16 bytes long.
 Data: <  &#154;&#177;&#247;           > 10 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000252ED877210, 16 bytes long.
 Data: <p &#154;&#177;&#247;           > 70 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000252ED8771C0, 16 bytes long.
 Data: < &#192; &#177;&#247;           > 18 C0 98 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra