<div dir="ltr">Dear Hang Xiao, the pre-processor flags are case sensitive.Just try -D__parallel instead of -D__PARALLEL. Moreover note that the valid DFLAGS for v2.6 have been changed w.r.t. v2.5. -D__GFORTRAN and -D__BLACS have been dropped if I am not mistaken and thus just -D__FFTW3 -D__parallel -D__SCALAPACK should work already. HTH, Matthias On Thursday, 5 March 2015 02:43:50 UTC+1, Hang Xiao wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Users, <div> </div><div>I have been trying to compile cp2k version 2.6.0 on a ubuntu 12.04 virtual machine using the following arch file: </div><div> </div><div>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))) 1Error: Symbol 'ipe' at (1) has no IMPLICIT type/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:210.16: jpe=npe/ipe 1Error: 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 1Error: 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. 1Error: 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. 1Error: 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 1Error: 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 1Error: Symbol 'npe' at (1) has no IMPLICIT type/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:189.10: nprow=1 1Error: 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) 1Error: Argument of SELECT statement at (1) cannot be UNKNOWNmake[3]: *** [cp_blacs_env.o] Error 1make[2]: *** [all] Error 2make[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</div></div></blockquote></div>