I think you need an exorcist for your computer. Recent versions of both ifort and gfortran work perfectly on Linux machines.
P. On Jun 25, 2012, at 22:43 , Roozbeh Sanaei wrote: > Hi, > I have tried QE 5.0 CP and PW examples with GFortran and IFort > compilers but both check-cp.x.j and check-pw.x.j fialed for both > of compilers. examples some succeed and some failed in both > conditions. > > > Which compiler and OS major developers use themselves? Can anybody > suggest me a free compiler or even a verison of linux, together > with Configuration Parameters which works "best" or "acceptable" > with QE, (i.e. checks and examples can run without problem). > > > With Regards, > Roozbeh Sanaei > > ---------------------------------------------------------------------- > ------------- > Full Report: (Ubuntu 12.04- OPTIPLEX 755) > > Steps I have taken to Install Quantum Espresso: > > 0. Installed fresh version of Ubuntu 12.04 on my system (OPTIPLEX > 755) > > 1. I installed build-essential, gfortran and fftw3-dev by > sudo apt-get install build-essential fftw3-dev gfortran > > 2. I got updates > sudo apt-get update > > 3. I entered Ubuntu as root, Espresso folder copied into an > accessible location (Home) and software directory made executable > and these permissions applied to enclosed files. otherwise I was > receiving "permission denied". > > 5.In the main directory of Quantum espresso and the configure I > executed the bash file ./Configure then I entered command make all. > > 7. After installation I faced some errors in Running examples and > tests. > > > > > RESULTS: > > GFORTRAN: > > CPV directory: > autopilot_example > running CP calculation with AUTOPILOT option...Segmentation fault > (core dumped) > restart_Example > Starting the cp.x calculation (with fixed ions)...Segmentation > fault (core dumped) > > check-cp.x.j > Checking o2-us-para-pbe....1..2..3..4.Segmentation fault (core dumped) > FAILED with error condition! > > > > PW directory: > Example01 > running the scf calculation for Al...Segmentation fault (core dumped) > > Example03 > running the MD calculation for Si in a 8 atom cell. G- > point...Segmentation fault (core dumped) > > Example06 > running the scf calculation for Ni...Segmentation fault (core dumped) > > Exx_Example > running the scf calculation for Si with nq = 1 ...Segmentation > fault (core dumped) > > ESM_Example > running the scf calculation for Al(111) with ESM bc2 (metal-slab- > metal) > (no applied field)...Segmentation fault (core dumped) > > check-pw.x.j > Checking atom-lsda...Segmentation fault (core dumped) > > > > IFORT: > I installed ifort (Intel? Fortran Composer XE 2011 for Linux) > available at http://software.intel.com/en-us/articles/intel-compilers/ > and executed these commands to determine the PATH > source /opt/intel/composer_xe_2011_sp1.10.319/bin/ia32/idbvars.sh > source /opt/intel/composer_xe_2011_sp1.10.319/pkg_bin/ifortvars.sh > ia32 > > Then I configured and Compiled it again and Then I got other problems > > > CPV directory: > > Example01 > running the calculation with fixed ions, restart...forrtl: severe > (174): SIGSEGV, segmentation fault occurred > > Example05 > running the calculation with electric field...forrtl: severe > (174): SIGSEGV, segmentation fault occurred > > check-pw.x.j > Checking o2-us-para-pbe....1.forrtl: severe (174): SIGSEGV, > segmentation fault occurred > > > > > PW directory: > > Example01running the scf calculation for Al...forrtl: severe (174): > SIGSEGV, segmentation fault occurred > > > Example03 > running the MD calculation for Si in a 2 atom cell. G- > point...forrtl: severe (174): SIGSEGV, segmentation fault occurred > > Example06 > running the scf calculation for Cu...forrtl: severe (174): > SIGSEGV, segmentation fault occurred > > EXX_Example > > running the scf calculation for Si with nq = 2 ...forrtl: severe > (174): SIGSEGV, segmentation fault occurred > > check-pw.x.j > Checking berry...forrtl: severe (174): SIGSEGV, segmentation fault > occurred > > > > When I installed all updated on the linux, Example01, Example05 > CPV directory were run OK. but other problems still there!!! And > both checks failed. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
