2:32:59Bikerandom evening thought: compiling discriminators in a dedicated thread might be easier for making it work as well as for performance reasons
2:33:05Bikehave to get it working to begin with first, tho
13:06:42kaskalHi! I'm new in this channel, I'd like to use clasp to interface it with our quantum chemistry code in c++, but I have some doubts. So we normally use the intel compiler for production calculations, is this possible to use clasp with code compiled with icc? How easy is it to compile clasp in HPC systems with the limited amount of libraries out of the box ?
13:12:16kaskalthank you for your answer, I'll try it out then. Is someone using clasp alongside MPI ? I guess your molecular code is MPI paralelized. Maybe there are some interesting resources to look at
13:12:46drmeisterBike: The OPEN is wrapped in an IGNORE-ERRORS
13:12:59drmeisterkaskal: We have an MPI version of clasp
13:13:37drmeisterI'm not sure if our new build system makes it easy to build - but we should get that working again.
13:14:24kaskaldrmeister alright, I'll take a look then and I'll get back to you, thx a bunch
13:14:32drmeisterkaskal: To be more clear... I'm not sure if our new build system makes it easy to build the MPI version - but we should get that working again.
13:15:01drmeisterI will warn you - people have had a lot of trouble building clasp - I'm not sure why. It's something different every time.