Dear Prof Blaha and all
Earlier I complied Wien2k-13.1 without any problem. But, when compiling
Wien2k 14.1 everything went well except lapw1_mpi. I got the following
message
seclr4.o: In function `seclr4_':
seclr4_tmp_.F:(.text+0x6bb): undefined reference to `pdsyevr_'
Please check to see if your Scalapack includes the Version 2.0.X routines,
see http://netlib.org/scalapack/scalapack-2.0.0 . Older versions may not
have the robust representation in them. It may be simply a case of using a
newer ifort mkl or scalapack.
On Wed, Sep 17, 2014 at 8:48 AM, Osama
I faced a similar problem since my MKL is old. There is a new
preprocessor variable mkl_scalapack. The work around was to add
-Dmkl_scalapack to FPOPT. My FPORT look like this:
FPOPT = $(FOPT) -DFFTW3
-I/home/dwillic1/software/fftw/3.3.3/intel-mvapich2-1.9/include
-Dmkl_scalapack
I hope this
Dear Oleg,,
Thank you for advice. It is working now.
Osama
On Wed, Sep 17, 2014 at 5:16 PM, Oleg Rubel oru...@lakeheadu.ca wrote:
I faced a similar problem since my MKL is old. There is a new
preprocessor variable mkl_scalapack. The work around was to add
-Dmkl_scalapack to FPOPT. My FPORT
Dear wien2k users,
After quite some struggle a new version, WIEN2k_14.1, has been released.
It contains among others:
- new versions of
lapwso mpi-version, bug fixes),
lapw0 (major changes and fixes, new XC-specification)
lapw5 (new STM-mode)
nmr
w2web interface
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