I've been running into times where the time allocated to completing the computation is insufficient and the run is aborted. Adding the ability for Exocross to dump to a file during computation and allowing Exocross to continue from an incomplete file would be quite beneficial to have.

Hi,

I run xcross via a windows subsystem for linux-Ubuntu (WSL). When I perform a simple "./xcross.exe outputfile" command, I get the following error:

me@DESKTOP:/mnt/c/Users/me/desktop/exocross$ make
gfortran -c accuracy.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c timer.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c input.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c VoigtKampff.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c phoenix.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c spectrum.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -c crosssections.f90 -O3 -fopenmp -std=f2008 -ffree-line-length-512
gfortran -o xcross.exe accuracy.o timer.o input.o spectrum.o VoigtKampff.o phoenix.o -O3 -fopenmp -std=f2008 -ffree-line-length-512 crosssections.o -static
/usr/lib/gcc/x86_64-linux-gnu/7/libgomp.a(target.o): In function `gomp_target_init':
(.text+0x8b): warning: Using 'dlopen' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking

me@DESKTOP:/mnt/c/Users/me/desktop/exocross$ ./xcross.exe < "input/NaH_gauss_298K_0.5.inp" > "input/output.txt"

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0 0x42da6d in ???
#1 0x42d0e3 in ???
#2 0x4a8b1f in ???
at /build/glibc-S9d2JN/glibc-2.27/nptl/../sysdeps/unix/sysv/linux/x86_64/sigaction.c:0
#3 0x0 in ???
Segmentation fault (core dumped)

Any idea what's wrong?

Thanks!

I suggest adding topics such as physics in the About section.

Make file didn't work on my Mac. CMake will make cross-platform compilation easier.

Hi,

I have been trying to generate a stick file and out file for the CN trihybrid model on ExoMol using the .states and .trans file on ExoMol for CN (Trihybrid).
https://www.exomol.com/data/molecules/CN/12C-14N/Trihybrid/

I am running ExoCross on windows system and using the xcross_dos.exe in the terminal. However, I see that it is generating only 1,576,054 transitions. But should be 2285103 lines since that is the number of transitions in the trihybrid model.

Can you please let me know why I am getting an incomplete outfile?