Dear Axel,
please always send a copy of your replies to the mailing list. thanks.
Thanks a lot for all your comments. I have an Intel fortran and a C compiler on my system and one of my colleagues recently wanted to use the lammps in the parallel mode. I have built lammps openmpi edition without error but when my colleague tried to use it he got some shared library errors. Then, I thought we should compile and use the mkl edition. Compiling the lammps with Intel mkl is really puzzling for me because there is no detailed documentation about it and people give very different advise on the Internet and that causes confusions. Is there any way to see the details of the error?
a lot of the confusion is due to the fact that intel keeps changing stuff around
and people don’t read the documentation, and then others don’t know and do
hacks and are even worse and work by accident. things always get complicated
if you mix C++ with fortran. in any case the documentation you need to look
into is the one of the compiler and of mkl, not LAMMPS.
i can’t explain how all this works in an e-mail.
i spend 2-3 sessions in my HPC classes on that subject…
cheers,
axel.