Task 38656690

Name test_896-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4007_0
Workunit 31600400
Created 24 Oct 2026, 10:54:16 UTC
Sent 24 Oct 2026, 12:00:29 UTC
Report deadline 29 Oct 2026, 12:00:29 UTC
Received 24 Oct 2026, 12:29:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min 54 sec
CPU time 20 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.53 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:08:30 (38364): wrapper (7.9.26016): starting
15:08:30 (38364): 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
15:08:32 (38364): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:08:32 (38364): 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\8\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\8\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
15:29:34 (38364): C:/Windows/system32/cmd.exe exited; CPU time 1228.656250
15:29:34 (38364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 26817847 bytes.
Dumping objects ->
{3835275} normal block at 0x000001E2B82C7A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000001E2B66F42B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001E2B66F3EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x000001E2B66F4240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001E2B66F3DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000001E2B8408670, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835187} normal block at 0x000001E2B66EDC80, 8 bytes long.
 Data: <   &#184;&#226;   > 00 00 0C B8 E2 01 00 00 
{3833939} normal block at 0x000001E2B66EDD20, 8 bytes long.
 Data: <`&#138;q&#182;&#226;   > 60 8A 71 B6 E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001E2B66EF280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E2B66E5200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001E2B66F4AB0, 16 bytes long.
 Data: <&#200;Ho&#182;&#226;           > C8 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E2B66F4EC0, 16 bytes long.
 Data: <&#160;Ho&#182;&#226;           > A0 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E2B66F33A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001E2B66F5000, 16 bytes long.
 Data: <xHo&#182;&#226;           > 78 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E2B66F4BA0, 16 bytes long.
 Data: <PHo&#182;&#226;           > 50 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E2B66F4D80, 16 bytes long.
 Data: <(Ho&#182;&#226;           > 28 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E2B66F5820, 16 bytes long.
 Data: < Ho&#182;&#226;           > 00 48 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E2B66F4010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001E2B66F5690, 16 bytes long.
 Data: < Do&#182;&#226;           > 88 44 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E2B66F2BC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001E2B66F5500, 16 bytes long.
 Data: <`Do&#182;&#226;           > 60 44 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E2B66F5050, 16 bytes long.
 Data: <8Do&#182;&#226;           > 38 44 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E2B66F51E0, 16 bytes long.
 Data: < Do&#182;&#226;           > 10 44 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E2B66F5960, 16 bytes long.
 Data: <&#232;Co&#182;&#226;           > E8 43 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E2B66F4FB0, 16 bytes long.
 Data: <&#192;Co&#182;&#226;           > C0 43 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E2B66F4A60, 16 bytes long.
 Data: < Co&#182;&#226;           > 98 43 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E2B66F2F20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001E2B66F5280, 16 bytes long.
 Data: <pCo&#182;&#226;           > 70 43 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E2B66F4370, 320 bytes long.
 Data: < Ro&#182;&#226;    /o&#182;&#226;   > 80 52 6F B6 E2 01 00 00 20 2F 6F B6 E2 01 00 00 
{265} normal block at 0x000001E2B66F4A10, 16 bytes long.
 Data: <&#224;Go&#182;&#226;           > E0 47 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E2B66F4F60, 16 bytes long.
 Data: <&#184;Go&#182;&#226;           > B8 47 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E2B66F3640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001E2B66F5910, 16 bytes long.
 Data: < Go&#182;&#226;           > 90 47 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E2B66F2E60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001E2B66F52D0, 16 bytes long.
 Data: <&#216;Fo&#182;&#226;           > D8 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E2B66F5190, 16 bytes long.
 Data: <&#176;Fo&#182;&#226;           > B0 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E2B66F58C0, 16 bytes long.
 Data: < Fo&#182;&#226;           > 88 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E2B66F56E0, 16 bytes long.
 Data: <`Fo&#182;&#226;           > 60 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E2B66F5730, 16 bytes long.
 Data: <8Fo&#182;&#226;           > 38 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E2B66EE7C0, 16 bytes long.
 Data: < Fo&#182;&#226;           > 10 46 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E2B66EE6D0, 16 bytes long.
 Data: <&#176;;o&#182;&#226;           > B0 3B 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E2B66F3BB0, 40 bytes long.
 Data: <&#208;&#230;n&#182;&#226;   p&#134;@&#184;&#226;   > D0 E6 6E B6 E2 01 00 00 70 86 40 B8 E2 01 00 00 
{251} normal block at 0x000001E2B66EE400, 16 bytes long.
 Data: <&#240;Eo&#182;&#226;           > F0 45 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E2B66EDB40, 16 bytes long.
 Data: <&#200;Eo&#182;&#226;           > C8 45 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001E2B66F3520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001E2B66EE090, 16 bytes long.
 Data: <&#160;Eo&#182;&#226;           > A0 45 6F B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001E2B66F45A0, 992 bytes long.
 Data: < &#224;n&#182;&#226;    5o&#182;&#226;   > 90 E0 6E B6 E2 01 00 00 20 35 6F B6 E2 01 00 00 
{83} normal block at 0x000001E2B66DF6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001E2B66EE680, 16 bytes long.
 Data: < &#239;m&#182;&#226;           > 20 EF 6D B6 E2 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E2B66DEF20, 40 bytes long.
 Data: < &#230;n&#182;&#226;   &#192;&#246;m&#182;&#226;   > 80 E6 6E B6 E2 01 00 00 C0 F6 6D B6 E2 01 00 00 
{60} normal block at 0x000001E2B66EE360, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E2B66EDCD0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E2B66EDE10, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E2B66ED910, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E2B66EE630, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E2B66EE720, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E2B66EE5E0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001E2B66EDB90, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001E2B66EE770, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001E2B66EE220, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra