Task 38670243

Name test_690-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND0324_0
Workunit 31612500
Created 25 Oct 2026, 16:53:19 UTC
Sent 25 Oct 2026, 16:53:23 UTC
Report deadline 30 Oct 2026, 16:53:23 UTC
Received 25 Oct 2026, 17:29:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 40 sec
CPU time 30 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.56 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
12:56:25 (16264): wrapper (7.9.26016): starting
12:56:25 (16264): 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
12:56:27 (16264): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:56:27 (16264): 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\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 'C:\ProgramData\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
13:28:25 (16264): C:/Windows/system32/cmd.exe exited; CPU time 1833.484375
13:28:25 (16264): 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: 40736283 bytes.
Dumping objects ->
{3835478} normal block at 0x000002E6D2EB7B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000002E6D2EB80D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000002E6D2EB81B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x000002E6D2EB84C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000002E6D2EB7D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x000002E6D2EB6600, 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) : {3835390} normal block at 0x000002E6D2E816E0, 8 bytes long.
 Data: <  &#229;&#210;&#230;   > 00 00 E5 D2 E6 02 00 00 
{3833961} normal block at 0x000002E6D2E819B0, 8 bytes long.
 Data: <&#224;&#232;&#245;&#210;&#230;   > E0 E8 F5 D2 E6 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002E6D2E75F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002E6D2E76F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002E6D2E89390, 16 bytes long.
 Data: <&#232;C&#232;&#210;&#230;           > E8 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E6D2E89D90, 16 bytes long.
 Data: <&#192;C&#232;&#210;&#230;           > C0 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002E6D2E84C10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002E6D2E892F0, 16 bytes long.
 Data: < C&#232;&#210;&#230;           > 98 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E6D2E89D40, 16 bytes long.
 Data: <pC&#232;&#210;&#230;           > 70 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E6D2E89CF0, 16 bytes long.
 Data: <HC&#232;&#210;&#230;           > 48 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E6D2E89610, 16 bytes long.
 Data: < C&#232;&#210;&#230;           > 20 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002E6D2E83500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002E6D2E89CA0, 16 bytes long.
 Data: <&#168;1&#231;&#210;&#230;           > A8 31 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E6D2E84AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002E6D2E89840, 16 bytes long.
 Data: < 1&#231;&#210;&#230;           > 80 31 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E6D2E89930, 16 bytes long.
 Data: <X1&#231;&#210;&#230;           > 58 31 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E6D2E892A0, 16 bytes long.
 Data: <01&#231;&#210;&#230;           > 30 31 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E6D2E89B10, 16 bytes long.
 Data: < 1&#231;&#210;&#230;           > 08 31 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E6D2E89570, 16 bytes long.
 Data: <&#224;0&#231;&#210;&#230;           > E0 30 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E6D2E89250, 16 bytes long.
 Data: <&#184;0&#231;&#210;&#230;           > B8 30 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E6D2E84730, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002E6D2E890C0, 16 bytes long.
 Data: < 0&#231;&#210;&#230;           > 90 30 E7 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E6D2E73090, 320 bytes long.
 Data: <&#192; &#232;&#210;&#230;   0G&#232;&#210;&#230;   > C0 90 E8 D2 E6 02 00 00 30 47 E8 D2 E6 02 00 00 
{276} normal block at 0x000002E6D2E89AC0, 16 bytes long.
 Data: < C&#232;&#210;&#230;           > 00 43 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E6D2E89C50, 16 bytes long.
 Data: <&#216;B&#232;&#210;&#230;           > D8 42 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002E6D2E85210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002E6D2E89200, 16 bytes long.
 Data: <&#176;B&#232;&#210;&#230;           > B0 42 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E6D2E84A30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002E6D2E88FD0, 16 bytes long.
 Data: <&#248;A&#232;&#210;&#230;           > F8 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E6D2E89C00, 16 bytes long.
 Data: <&#208;A&#232;&#210;&#230;           > D0 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E6D2E89660, 16 bytes long.
 Data: <&#168;A&#232;&#210;&#230;           > A8 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E6D2E89980, 16 bytes long.
 Data: < A&#232;&#210;&#230;           > 80 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E6D2E89070, 16 bytes long.
 Data: <XA&#232;&#210;&#230;           > 58 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E6D2E89A70, 16 bytes long.
 Data: <0A&#232;&#210;&#230;           > 30 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E6D2E89750, 16 bytes long.
 Data: < 4&#232;&#210;&#230;           > 20 34 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002E6D2E83420, 40 bytes long.
 Data: <P&#151;&#232;&#210;&#230;    f&#235;&#210;&#230;   > 50 97 E8 D2 E6 02 00 00 00 66 EB D2 E6 02 00 00 
{262} normal block at 0x000002E6D2E891B0, 16 bytes long.
 Data: < A&#232;&#210;&#230;           > 10 41 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E6D2E89520, 16 bytes long.
 Data: <&#232;@&#232;&#210;&#230;           > E8 40 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E6D2E84F70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002E6D2E89160, 16 bytes long.
 Data: <&#192;@&#232;&#210;&#230;           > C0 40 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E6D2E840C0, 992 bytes long.
 Data: <`&#145;&#232;&#210;&#230;   pO&#232;&#210;&#230;   > 60 91 E8 D2 E6 02 00 00 70 4F E8 D2 E6 02 00 00 
{94} normal block at 0x000002E6D2E84A90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002E6D2E80F60, 16 bytes long.
 Data: <&#224;5&#232;&#210;&#230;           > E0 35 E8 D2 E6 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002E6D2E835E0, 40 bytes long.
 Data: <` &#232;&#210;&#230;    J&#232;&#210;&#230;   > 60 0F E8 D2 E6 02 00 00 90 4A E8 D2 E6 02 00 00 
{71} normal block at 0x000002E6D2E815A0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E6D2E81960, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E6D2E81370, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E6D2E81230, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E6D2E80FB0, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E6D2E810F0, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E6D2E81140, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E6D2E80DD0, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E6D2E80F10, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002E6D2E81460, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra