[DFTB-Plus-User] Error while compiling the parallel DFTB+ version.

siddheshwar chopra sidhusai at gmail.com
Tue Jun 19 13:32:01 CEST 2018


Dear Balint,
I am unable to compile the parallel MPI DFTB+ 18.1 version. The error is as
follows:

In function `__scalapackfx_module_MOD_scalafx_ppotrf_complex':
scalapackfx.f90:(.text+0x14ffb): undefined reference to `pcpotrf_'
/usr/dftbplus-18.1/_build/external/scalapackfx/libscalapackfx.a(scalapackfx.o):
In function `__scalapackfx_module_MOD_scalafx_ppotrf_dreal':
scalapackfx.f90:(.text+0x1688b): undefined reference to `pdpotrf_'
collect2: error: ld returned 1 exit status
/usr/dftbplus-18.1/prog/dftb+/make.build:28: recipe for target 'dftb+'
failed
make[1]: *** [dftb+] Error 1
make[1]: Leaving directory '/usr/dftbplus-18.1/_build/prog/dftb+'
makefile:47: recipe for target 'dftb+' failed
make: *** [dftb+] Error 2


And this is the "make.arch" file:


-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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