Error when compiling LSDalton with DEC library

Problems with Dalton installation? Find answers or ask for help here
Post Reply
andreasbendtsen
Posts: 2
Joined: 19 Oct 2020, 09:32
First name(s): Andreas
Middle name(s): Erbs
Last name(s): Hillers-Bendtsen
Affiliation: University of Copenhagen
Country: Denmark

Error when compiling LSDalton with DEC library

Post by andreasbendtsen » 19 Oct 2020, 10:24

Dear Dalton devs,
When trying to compile LSDalton with -DENABLE_DEC=ON in the setup (both the v2018.0 and the release/2020 git versions), I keep getting an error as I try "make" the build, namely, from the two files:

src/deccc/CMakeFiles/deccc.dir/cc_tools.F90.o and src/deccc/CMakeFiles/deccc.dir/decmpi.F90.o

I have attached a file containing the output from the "make -k" command which displays the errors.
make.txt
(3.77 KiB) Downloaded 18 times
My setup command is './setup --mpi --omp --mkl parallel --int64 -DENABLE_OPENRSP=ON -DENABLE_DEC=ON build_dec'

I am using Intel compilers from parallel_studio_xe_2020 along with openmpi-2.1.2 compilers and cmake-3.14.0.

Anyone have any suggestion whether I am compiling the program incorrectly or whether there is an error in the program?

Br. Andreas

rob
Posts: 27
Joined: 15 Oct 2014, 13:43
First name(s): Roberto
Last name(s): Di Remigio
Affiliation: CTCC
Country: Norway

Re: Error when compiling LSDalton with DEC library

Post by rob » 19 Oct 2020, 12:25

Hello! The problem seems to be a type mismatch in the integer sizes. I see you're trying to compile with 64-bit integer support and this is apparently problematic for some DEC subroutines in the files you highlight. Unless you know you will absolutely need 64-bit integers, I would not configure and compile with --int64. Furthermore, OpenRSP does not support the usage of 64-bit integers.

andreasbendtsen
Posts: 2
Joined: 19 Oct 2020, 09:32
First name(s): Andreas
Middle name(s): Erbs
Last name(s): Hillers-Bendtsen
Affiliation: University of Copenhagen
Country: Denmark

Re: Error when compiling LSDalton with DEC library

Post by andreasbendtsen » 20 Oct 2020, 14:05

That solved the problem.
Thanks for the quickly reply.

Post Reply

Who is online

Users browsing this forum: No registered users and 2 guests