Re: [SIESTA-L] compiling error

2008-04-10 Thread Mariusz Krawiec
Dear Prof. Auluck, That is strange because I compiled siesta with mkl/cmkl 10 and ifort 10 on 2 X Xeon quad core machine. It also works. Well, to be honest it 'almost' works. Everithing goes fine until the band structure is calcultaed at the end of run (error in Cholesky factorization). Then

[SIESTA-L] compiling error

2008-04-09 Thread Ricardo Faccio
Dear Users After setting all the enviroment variables in our dual-core machine, the compilation process stops with this error: ld: cannot find libmkl_intel.a make: *** [siesta] Error 1 the ifort and mkl enviroment variables are ok the ld.so.conf includes: /opt/intel/fc/10.1.012/lib/

Re: [SIESTA-L] compiling error

2008-04-09 Thread Prof. Sushil Auluck
hi, in the past few days i have been strugling to get siesta to run in parallel on our xeon cluster. in this process a lot of users gave me ideas. i appreciate their help and guidance. let me share with you my experiences. i used mpich2 loaded on a RHEL4 o/s.and intel compilers.. i