ABINIT Discussion Forums

Thanks Eric. I have reinstall my virtual machine with the newest CentOS-1804 and re-compiling my ABINIT-8.6.3 and ABINIT-8.8.1 under Windows 10 system. This time, I don't use the shared folder. All files are within the virtual machine. With the same input file, the ABINIT 8.6.3 takes 6'26'', but the...

Al-04.in Dear Eric, Thanks first for you kind help. My main compiling parameters are as following: ./configure FC=mpif90 CC=mpicc CXX=mpicxx --prefix="/opt/ABINIT-Simple" --with-arch=x86_64 --enable-64bit-flags="yes" --enable-mpi="yes" --with-mpi-libs="-L/opt/MPIC...

Dear Eric: Thanks for your answer. My meaning is, with the same compiling parameters, and the same running command, the New version is much slower than the old ones. Usually the two version should give the nearly same running result, I think. I also find it is the same fast for very small computatio...

Hello everyone： I find a strange phenomenon: With the same compiling parameters, the abinit 8.8.1 is much slower than abinit 8.6.3. e.g for Al with vacumn slabs, the abinit 8.6.3 is about ~6 min, but the abinit 8.8.1 needs near 30+ min. Why? PS: virtual machine, 4 cores, 8 GB, CentOS 7.3 with openmp...