You could try to compile using this option (all together, without spaces): -ffpe-trap=invalid,zero,overflow,underflow,denormal to force the code to crash at the first appearance of NaN, this could help track down the source of the problem.
On Tue, 25 Oct 2011 18:18:58 +0200, Carlo Nervi <carlo.nervi at unito.it> wrote: > Hello, > I tried to compile using the GOTO2 BLAS libs, but I got the same error > in gipaw. > > So I tried to compile all with gfortran 4.4.5, but again I got the same > NaN message, with again the following: > > Computing the magnetic susceptibility isolve=0 > ethr=0.1000E-13 > k-point # 1 of 1 pool # 1 > ik 1 ibnd 16 linter: root not converged 0.651E+09 > ik 1 ibnd 16 linter: root not converged 0.261E+30 > ik 1 ibnd 16 linter: root not converged 0.362E+30 > End of magnetic susceptibility calculation > > I'm getting frustrated... > > What is strange is that pw.x compiled with gfortran 4.6.1 is apparently > doing very well. This is not the case of gipaw.... > > Carlo > -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
