Martin

Hey Lorenzo, your suggestion hit the spot, by changing it to 10000 I'm down to 1.1s per 1000 steps! Thanks a lot for your help! Best, Martin

Hi, we just started using oxDNA and seem to encounter some performance issues. On a workstation with Core i7-7700K CPU, 64GB RAM and Nvidia Titan X (Pascal) GPU running Ubuntu 18.04.1 and CUDA 10.1, we successfully compiled oxDNA r6985 using both gcc-7.4 and gcc-4.8 with CUDA support enabled. For both builds, we performed simulations of a DNA origami structure consisting of ~15K nucleotides with 'sim_type = MD' and 'interaction_type = DNA2'. Please find the corresponding input file attached. Using...