Re: [SIESTA-L] SIESTA on LInux-problem

2008-12-26 Thread Michael Shin
Hello Siesta users. I amĀ using SIESTA without any problem and I am not very expert in Linux adminstration. I made one computer for siesta and install linux on it and then compiled siesta without any problem. I also installed f90/95 compiler for fortran. It alos works well, but I found that

Re: [SIESTA-L] Confusion in optical calculation

2008-12-26 Thread Sushil Auluck
hi, try using 0.1 - 0.5 eV... you may look at the experimental data and see waht this broadening is s.auluck Dear All, I have one confusion for giving input in optical calculation. When i am running ./optical, the following is coming Do you want to include a Drude term? This is

Re: [SIESTA-L] [SUSPECTED-SPAM] Re: [SIESTA-L] SIESTA on LInux-problem

2008-12-26 Thread Sushil Auluck
hi for running a job in the background...use this command.. nohup ./siesta etc etc you have a shell problem..i assume you are in bash shell...in that case edit the .bashrc file and add a linesource ,bash_profile without the .. log out and then login and you shold be

[SIESTA-L] Error in compiling SIESTA

2008-12-26 Thread Amirhasan Nourbakhsh
Dear all, I tried to compile siesta on my PC (intel(R) Core2Duo,Red Hat,Intel Fortran 11), but I got the following warning/error: ipo: warning #11009: file format not recognized for /.../bin/fortran/intel/mkl/lib/em64t/libmkl_intel_lp64.a ld: cannot find libmkl_intel_lp64.a

Re: [SIESTA-L] Error in compiling SIESTA

2008-12-26 Thread lan haiping
ld: cannot find libmkl_intel_lp64.a please notice this information. you should set proper path for libmkl_intel_lp64.a. On Sat, Dec 27, 2008 at 2:33 AM, Amirhasan Nourbakhsh ahn6...@yahoo.comwrote: Dear all, I tried to compile siesta on my PC (intel(R) Core2Duo,Red Hat,Intel Fortran 11),

Re: [SIESTA-L] [SUSPECTED-SPAM] [SIESTA-L] Error in compiling SIESTA

2008-12-26 Thread Sushil Auluck
hi, give the correct path of the intel mkl libraries make sure that the architecture is correct..is core2duo em64t, 32 bit,64bit. use the correct libraries. s.auluck Dear all, I tried to compile siesta on my PC (intel(R) Core2Duo,Red Hat,Intel Fortran 11), but I got the following