Error in compiling CP2K 2.6

Hang Xiao xiaoh... at gmail.com
Thu Mar 5 01:43:50 UTC 2015


Dear Users,

I have been trying to compile cp2k version 2.6.0 on a ubuntu 12.04 virtual 
machine using the following arch file:

CC       = cc

CPP      =

FC       = mpif90

LD       = mpif90

AR       = ar -r

DFLAGS   = -D__GFORTRAN -D__FFTSG -D__PARALLEL -D__BLACS -D__SCALAPACK 
-D__FFTW3 

CPPFLAGS =

FCFLAGS  = $(DFLAGS)  -ffree-form -O2 -ffast-math -march=opteron -cpp -g

LDFLAGS  = $(FCFLAGS)

LIBS     = -L/usr/lib -lscalapack-openmpi -lblacsF77init-openmpi -lblacs-openmpi 
-llapack -lblas   -lfftw3

 

OBJECTS_ARCHITECTURE = machine_gfortran.o



Using this arch file, I am able to compile CP2K 2.5. With this "successful" 
arch file, in the same computer, I couldn't compile CP2K 2.6. The errors 
are:


Error: Symbol 'gcd_max' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:209.16:

 

          DO ipe=1,CEILING(SQRT(REAL(npe,dp)))

                1

Error: Symbol 'ipe' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:210.16:

 

             jpe=npe/ipe

                1

Error: Symbol 'jpe' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:201.27:

 

       my_blacs_grid_layout=BLACS_GRID_SQUARE

                           1

Error: Symbol 'my_blacs_grid_layout' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:238.24:

 

     my_blacs_repeatable = .FALSE.

                        1

Error: Symbol 'my_blacs_repeatable' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:230.17:

 

     my_row_major=.TRUE.

                 1

Error: Symbol 'my_row_major' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:190.10:

 

     npcol=1

          1

Error: Symbol 'npcol' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:191.8:

 

     npe  =blacs_env%n_pid

        1

Error: Symbol 'npe' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:189.10:

 

     nprow=1

          1

Error: Symbol 'nprow' at (1) has no IMPLICIT type

/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:204.20:

 

       SELECT CASE (my_blacs_grid_layout)

                    1

Error: Argument of SELECT statement at (1) cannot be UNKNOWN

make[3]: *** [cp_blacs_env.o] Error 1

make[2]: *** [all] Error 2

make[1]: *** [popt] Error 2

make: *** [all] Error 2


That's very weird. And I have searched these errors, but I couldn't find a 
solution to this. I have tried gfortran 4.6, gfortran 4.9, openmpi 1.4.3 
and openmpi 1.6.5, the errors always occur. 


Have you guys seen this error? Is there any solution for this error?


Thank you! 


Regards,


Hang Xiao
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