Dear Filippo Due to the nature of QE which is iterative, I think lack of ECC and even double precision floating point in gaming cards (GTX) comparing to tesla cards
is not serious problem for QE-GPU. Some authors have checked this for AMBER molecular dynamics simulation code. See following site: http://www.hpcwire.com/2014/03/13/ecc-performance-price-worth-gpus and see the following paper: www.rosswalker.co.uk/papers/2014_03_ECC_AMBER_Paper_10.1002_cpe.3232.pdf I encourage the users of QE-GPU to test it for QE, and report the difference on the site. PS: to be able to test the results for GTX and TESLA, it is needed QE-GPU code to be run on GTX :-) With the Best Regards Reza Behjatmanesh-Ardakani Associate Professor of Physical Chemistry Address: Department of Chemistry, School of Science, Payame Noor University (PNU), Ardakan, Yazd, Iran. E-mails: 1- reza_b_m_a at yahoo.com (preferred), 2- behjatmanesh at pnu.ac.ir, 3- reza.b.m.a at gmail.com.
