[Pw_forum] Installing QE-5.0.3 with ifort- iotk error- reg.,

Dear QE users I tried to install QE-5.0.3 using ifort and icc compliers. the following is message printed during compilation *slave2 at slave2:~/espresso-5.0.3$ ./configure F77=ifort F90=ifort MPIF90=ifort CC=icc BLAS_LIBS="/opt/intel/mkl/lib/intel64/" LAPACK_LIBS="/opt/intel/mkl/lib/intel64/

[Pw_forum] Installing QE-5.0.3 with ifort- iotk error- reg.,

this is not an iotk error, but a user error. you specified "ifort" as MPI compiler wrapper, but it isn't and neither did you point the configure script to the location of the MPI library and headers. how to compile QE with MPI has been explained a gazillion times on this mailing list. even more

[Pw_forum] installing QE

Dear PWSCF users Thanks for advising to install mpich. I installed mpich2 in my machine and the i ran the espresso-4.3_examples. Many programme were succesfully done but may came out with error. Foe eg. /home/Software/espresso-4.3_examples/examples/example14 : starting This example shows how to

[Pw_forum] installing QE

Installing OpenMPI or MPICH2 firstly, then you can compile parrallel version PWscf. When you run it with multi-cores, using mpirun -n $CoreNum pw.x -npool $PoolNum At 2011-05-25 12:55:10?"vicky singh" wrote: Hi I have recently got a new system with i5 processor. Since it has 4 processor how

[Pw_forum] installing QE

Thanks a lot. On Wed, May 25, 2011 at 1:08 PM, Sanjeev Gupta wrote: > Dear Vicky > > Go in download package manager and just "type" there "mpich" , it will find > the required files, which you install. It is very easy now. Thanks to > developer for hard effort to make it easy. After installation

[Pw_forum] installing QE

Hey Vicky, if mpich (for instance) is installed, it will automatically detect it. Then you will have to do mpiexec -n 4 path_to_qe_exec < input_file > out_file in order to use the 4 cores. Note that this is well documented in the examples. The other solution is to build QE with OpenMP, but I

[Pw_forum] installing QE

Dear Vicky Go in download package manager and just "type" there "mpich" , it will find the required files, which you install. It is very easy now. Thanks to developer for hard effort to make it easy. After installation of mpich, then you configure as you said before in mail. it will work fine.

[Pw_forum] installing QE

Dear Eric Thanks a lot for your suggestion. Can you let me know that if mpich is not there can it be installed. vicky singh On Wed, May 25, 2011 at 10:42 PM, Eric Germaneau wrote: > Hey Vicky, > > if mpich (for instance) is installed, it will automatically detect it. > Then you will have to do

[Pw_forum] installing QE

Hi I have recently got a new system with i5 processor. Since it has 4 processor how can i install QE such that i can run parallel processing. Documentation says just to use ./configure and make to be done for compiling. will these command when run will consider the system configuration and

[Pw_forum] Installing QE 4.0.5 on Mac Pro 64-bit and gfortran

On Jun 3, 2009, at 15:36 , Cristian Degli Esposti Boschi wrote: > So, where and how should I fix the pointer size vs. the default > integer > size? include/fft_defs.h --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216,

[Pw_forum] Installing QE 4.0.5 on Mac Pro 64-bit and gfortran

>Have you tried with 4.3.x for instance (not Apple build)? There should >be also 4.4.x available. I have just tried to compile with gcc 4.3.3 (GCC build). The configure step is like this: sudo ./configure --disable-parallel CC=gcc-4 CFLAGS="-m64" FFLAGS="-m64" F90FLAGS="-m64" CPPFLAGS="-m64"