Task 38684534

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6570_0
Workunit 31626045
Created 27 Oct 2026, 16:51:31 UTC
Sent 27 Oct 2026, 16:51:39 UTC
Report deadline 1 Nov 2026, 16:51:39 UTC
Received 27 Oct 2026, 17:24:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 31 min 50 sec
CPU time 29 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.54 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:53:22 (8300): wrapper (7.9.26016): starting
19:53:22 (8300): 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
19:53:23 (8300): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:53:23 (8300): 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
20:23:50 (8300): C:/Windows/system32/cmd.exe exited; CPU time 1776.765625
20:23:50 (8300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 32545783 bytes.
Dumping objects ->
{3835298} normal block at 0x000002BDDB464EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000002BDDB464980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000002BDDB465160, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x000002BDDB464750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002BDD9664B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x000002BDDB3D7DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002BDD96BCA70, 140 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) : {3835209} normal block at 0x000002BDD965D830, 8 bytes long.
 Data: <  &#176;&#217;&#189;   > 00 00 B0 D9 BD 02 00 00 
{3834580} normal block at 0x000002BDD96BCCE0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002BDD965DF10, 8 bytes long.
 Data: < WC&#219;&#189;   > 20 57 43 DB BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002BDD9661C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002BDD9656760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002BDD9666350, 16 bytes long.
 Data: <&#184;kf&#217;&#189;           > B8 6B 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BDD9665A90, 16 bytes long.
 Data: < kf&#217;&#189;           > 90 6B 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002BDD965FAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002BDD9665E00, 16 bytes long.
 Data: <hkf&#217;&#189;           > 68 6B 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BDD9665DB0, 16 bytes long.
 Data: <@kf&#217;&#189;           > 40 6B 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002BDD96661C0, 16 bytes long.
 Data: < kf&#217;&#189;           > 18 6B 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BDD9666440, 16 bytes long.
 Data: <&#240;jf&#217;&#189;           > F0 6A 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BDD9664DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002BDD9665D60, 16 bytes long.
 Data: <&#168;&#183;d&#217;&#189;           > A8 B7 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BDD965F260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002BDD9666170, 16 bytes long.
 Data: < &#183;d&#217;&#189;           > 80 B7 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BDD9665D10, 16 bytes long.
 Data: <X&#183;d&#217;&#189;           > 58 B7 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BDD9665C70, 16 bytes long.
 Data: <0&#183;d&#217;&#189;           > 30 B7 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BDD9666260, 16 bytes long.
 Data: < &#183;d&#217;&#189;           > 08 B7 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BDD9666580, 16 bytes long.
 Data: <&#224;&#182;d&#217;&#189;           > E0 B6 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BDD96663F0, 16 bytes long.
 Data: <&#184;&#182;d&#217;&#189;           > B8 B6 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BDD965F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002BDD96659F0, 16 bytes long.
 Data: < &#182;d&#217;&#189;           > 90 B6 64 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BDD964B690, 320 bytes long.
 Data: <&#240;Yf&#217;&#189;   &#224;&#249;e&#217;&#189;   > F0 59 66 D9 BD 02 00 00 E0 F9 65 D9 BD 02 00 00 
{278} normal block at 0x000002BDD9665CC0, 16 bytes long.
 Data: <&#208;jf&#217;&#189;           > D0 6A 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BDD96664E0, 16 bytes long.
 Data: <&#168;jf&#217;&#189;           > A8 6A 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BDD965F800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002BDD96658B0, 16 bytes long.
 Data: < jf&#217;&#189;           > 80 6A 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BDD965F7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002BDD9666300, 16 bytes long.
 Data: <&#200;if&#217;&#189;           > C8 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BDD96663A0, 16 bytes long.
 Data: <&#160;if&#217;&#189;           > A0 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BDD9665860, 16 bytes long.
 Data: <xif&#217;&#189;           > 78 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BDD9666120, 16 bytes long.
 Data: <Pif&#217;&#189;           > 50 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BDD9665950, 16 bytes long.
 Data: <(if&#217;&#189;           > 28 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BDD9666080, 16 bytes long.
 Data: < if&#217;&#189;           > 00 69 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BDD9665B80, 16 bytes long.
 Data: <pOf&#217;&#189;           > 70 4F 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BDD9664F70, 40 bytes long.
 Data: < [f&#217;&#189;   &#176;}=&#219;&#189;   > 80 5B 66 D9 BD 02 00 00 B0 7D 3D DB BD 02 00 00 
{264} normal block at 0x000002BDD9665B30, 16 bytes long.
 Data: <&#224;hf&#217;&#189;           > E0 68 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BDD9666030, 16 bytes long.
 Data: <&#184;hf&#217;&#189;           > B8 68 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BDD965F440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002BDD96659A0, 16 bytes long.
 Data: < hf&#217;&#189;           > 90 68 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BDD9666890, 992 bytes long.
 Data: <&#160;Yf&#217;&#189;   @&#244;e&#217;&#189;   > A0 59 66 D9 BD 02 00 00 40 F4 65 D9 BD 02 00 00 
{96} normal block at 0x000002BDD965F500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002BDD965D4C0, 16 bytes long.
 Data: <@Mf&#217;&#189;           > 40 4D 66 D9 BD 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002BDD9664D40, 40 bytes long.
 Data: <&#192;&#212;e&#217;&#189;    &#245;e&#217;&#189;   > C0 D4 65 D9 BD 02 00 00 00 F5 65 D9 BD 02 00 00 
{73} normal block at 0x000002BDD965DDD0, 16 bytes long.
 Data: < &#234;&#149;\&#247;           > 80 EA 95 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002BDD965DBA0, 16 bytes long.
 Data: <@&#233;&#149;\&#247;           > 40 E9 95 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002BDD965DA60, 16 bytes long.
 Data: <&#248;W&#146;\&#247;           > F8 57 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002BDD965DEC0, 16 bytes long.
 Data: <&#216;W&#146;\&#247;           > D8 57 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002BDD965DE20, 16 bytes long.
 Data: <P &#146;\&#247;           > 50 04 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BDD965D420, 16 bytes long.
 Data: <0 &#146;\&#247;           > 30 04 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BDD965D7E0, 16 bytes long.
 Data: <&#224; &#146;\&#247;           > E0 02 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BDD965E230, 16 bytes long.
 Data: <  &#146;\&#247;           > 10 04 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BDD965D790, 16 bytes long.
 Data: <p &#146;\&#247;           > 70 04 92 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BDD965E000, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 90 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra