Axel Kohlmeyer ha scritto: > how much memory does your machine have? what else is running on that machine?
Yes, I'm sure it is a 8 core machine, I have 8 Gb RAM, and nothing else was running. I'm the owner and root user of this PC: a dual socket quad-core Xeon E5345 @2.33GHz on which I installed Gentoo Linux. I'm using the stable (Gentoo) mpich2-v1.0.3 However, I discovered that if mpich2 has been compiled with threads option (USE="mpe threads" emerge mpich2) I got link error messages while compiling QE with ifort. I guess there are few problems with mpich2. The latest version of mpich2 (1.0.8) is marked unstable under Gentoo. I downloaded the most recent ifort/icc/mkl compilers and libraries from the Intel site.... but I'm still in doubt whether to install all or to keep my gcc-4.1.2 p1.3, ifort 10.0 and mkl 9.1.023. I think the main problem lies in my poor understandings of makefile flags, resulting in linking problems with FFTW3 libraries. Right now I'm playing with make.sys and I got: ../Modules/fft_scalar.o: In function 'fft_scalar_mp_cft_b_': fft_scalar.f90(.text+0xc47): undefined reference to 'dfftw_execute_dft_' ... and many other similar link errors... For example, I'm still not sure if this is correct: DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA FFT_LIBS = -L/opt/intel/mkl/9.1.023/lib/em64t -lfftw3xf_intel MPI_LIBS = -L/usr/lib64/ -lmpich Sorry for bothering a lot, Carlo -- ------------------------------------------------------ Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8 Fax: +39 011 6707855 - Dipartimento di Chimica IFM via P. Giuria 7, 10125 Torino, Italy http://lem.ch.unito.it/
