xnorm bug
Posted: Fri Nov 18, 2011 1:25 pm
Dear all,
I'm trying to calc. the band structure of doped TiO2. However, when abinit starts the 2nd dataset, I get a message
normev : BUG
Starting xnorm should be close to one (tol is 0.001).
However, for state number 1, xnorm= 9.989853E-01
It might be that your LAPACK library has not been correctly installed.
Action : contact ABINIT group.
I don't know what this means and what should I do to overcome this problem. Can anyone help me with this?
Thank you all in advance!
Yours,
Igor Lukacevic
PS. I'm using abinit 6.2 on a linux cluster. These are the configure options used
./configure --prefix=/usr/local/abinit6 --enable-mpi --with-mpi-level=1 --with-mpi-prefix=/opt/mpich-1.2.7p1/intel/ --enable-64bit-flags --enable-smp --disable-debug --with-linalg-libs="-L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_intel_lp64 -liomp5 -lpthread -lguide -lmkl_intel_thread -lmkl_core -lm" --with-dft-flavor="none" --with-trio-flavor="none"
PPS. The input file is attached.
I'm trying to calc. the band structure of doped TiO2. However, when abinit starts the 2nd dataset, I get a message
normev : BUG
Starting xnorm should be close to one (tol is 0.001).
However, for state number 1, xnorm= 9.989853E-01
It might be that your LAPACK library has not been correctly installed.
Action : contact ABINIT group.
I don't know what this means and what should I do to overcome this problem. Can anyone help me with this?
Thank you all in advance!
Yours,
Igor Lukacevic
PS. I'm using abinit 6.2 on a linux cluster. These are the configure options used
./configure --prefix=/usr/local/abinit6 --enable-mpi --with-mpi-level=1 --with-mpi-prefix=/opt/mpich-1.2.7p1/intel/ --enable-64bit-flags --enable-smp --disable-debug --with-linalg-libs="-L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_intel_lp64 -liomp5 -lpthread -lguide -lmkl_intel_thread -lmkl_core -lm" --with-dft-flavor="none" --with-trio-flavor="none"
PPS. The input file is attached.