Skip to content

issues Search Results · repo:lanl/LATTE language:Fortran

Filter by

25 results
 (75 ms)

25 results

inlanl/LATTE (press backspace or delete to remove)

lanl/LATTE
Error: More actual than formal arguments in procedure call at (1)

Hi, I am trying to compile LATTE 1.2.2 on our HPC cluster to provide it as dependency for LAMMPS. When trying to compile the code, it always fails with the error: [ 73%] Building Fortran object CMakeFiles/latte.dir/dev/shm/spackapps/spack-stage/spack-stage-G5kA9f/lanl-LATTE-d4b5b71/src/pairpot_plusD.F90.o ...
  • samfux84
  • 10
  • Opened 
    on May 7, 2021
  • #115

lanl/LATTE
New release

Could you make a new release in github? Maybe 1.2.2? (Don t forget to update the version number in cmake/CMakeLists.txt and other files)
  • junghans
  • 1
  • Opened 
    on May 5, 2020
  • #114

lanl/LATTE
Compiling with GPU support

when using both mpif90, or mpiifort compilers with GPUOPT=ON, gives following error during linking (truncated output, actual one repeats for like 100s of lines): ... flcnnono.F90:(.text+0x1e2): undefined ...
  • ipcamit
  • 1
  • Opened 
    on May 22, 2019
  • #107

lanl/LATTE
Running latte via lammps with MDCONTROL variables

Errors when using the following latte.in file: MDCONTROL{ MAXITER= -1 UDNEIGH= 25 DT= 0.25 TEMPERATURE= 300.00 RNDIST= GAUSSIAN SEEDINIT= UNIFORM DUMPFREQ= 100000 RSFREQ= 100000 WRTFREQ= 100000 TOINITTEMP5= ...
  • cnegre
  • Opened 
    on Feb 4, 2019
  • #102

lanl/LATTE
Please add information on GPU support

Hi all, I was looking for information on GPU support but could not find anything in manual other than a keyword for GPU. It d be great if someone here could share some information on performance scaling ...
  • xuetaoshi
  • Opened 
    on Dec 14, 2018
  • #97

lanl/LATTE
Please add documentation/tutorial for utilizing DFTB parameters from other sources

Hi all, I am rather new to DFTB/LATTE and this issue may not be an issue at all for more experienced users. But I find it very daunting to translate DFTB parameter files obtained from websites such as ...
  • xuetaoshi
  • 5
  • Opened 
    on Nov 16, 2018
  • #94

lanl/LATTE
DBCSR_OPT option is broken: there's no such file dbcsr_var_mod.mod

/usr/ports/science/latte/work/LATTE-1.2.1/src/deallocatepure.f90:26:6: USE DBCSR_VAR_MOD 1 Fatal Error: Can t open module file dbcsr_var_mod.mod for reading at (1): No such file or directory ...
  • yurivict
  • Opened 
    on Oct 31, 2018
  • #92

lanl/LATTE
Please add a comprehensive package description to README

I need to create a FreeBSD port and there is no description available.
  • yurivict
  • Opened 
    on Oct 31, 2018
  • #91

lanl/LATTE
Makefile doesn't install anything

install target is missing. How can I know what should be installed?
  • yurivict
  • 3
  • Opened 
    on Oct 31, 2018
  • #90

lanl/LATTE
LATTE-LAMMPS restart and Langevin

Langevin crashes at restart. The workaround is to do a “run 0” command before setting up the thermostat, that does the trick. Read_restart …. …. Fix 1 all nve Run 0 Fix 2 all langevin ….. Run 10000
  • cnegre
  • Opened 
    on Aug 8, 2018
  • #82
Issue origami icon

Learn how you can use GitHub Issues to plan and track your work.

Save views for sprints, backlogs, teams, or releases. Rank, sort, and filter issues to suit the occasion. The possibilities are endless.Learn more about GitHub Issues
ProTip! 
Press the
/
key to activate the search input again and adjust your query.
Issue origami icon

Learn how you can use GitHub Issues to plan and track your work.

Save views for sprints, backlogs, teams, or releases. Rank, sort, and filter issues to suit the occasion. The possibilities are endless.Learn more about GitHub Issues
ProTip! 
Press the
/
key to activate the search input again and adjust your query.
Issue search results · GitHub