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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