Hello Previously I send a mail talking that I had relaxed structures with siesta 2.0.1 and the forces stayed less than 0.04 eV/A. But, with the new siesta version (3.0-b) they have one order of magnitude more. The problem was solved recompiling the new version, taking care that:
The mkl-libraries MUST be compiled with the same fortran version that you are compiling your siesta. after that the problem was solved. For common knowledge I attach my arch.make file. My system have Intel Fortran 10.1.011 Intel MKL 10.0.1.014 mpich 1.2.7 Thank you Marcos and all siesta fellows for your help!! Lic. Christian Helman Gerencia de Investigaciones y Aplicaciones Centro Atómico Constituyentes-CNEA Argentina Tel:++54-11-6772-7102
arch.make
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