Dear all, The compiler seems the following:
# Compilers: fortran-90, fortran-77, C # If a parallel compilation is desired, MPIF90 should be a fortran-90 # compiler that produces executables for parallel execution using MPI # (such as for instance mpif90, mpf90, mpxlf90,...); # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) # If you have a parallel machine but no suitable candidate for MPIF90, # try to specify the directory containing "mpif.h" in IFLAGS # and to specify the location of MPI libraries in MPI_LIBS MPIF90 = mpif90 #F90 = gfortran CC = cc F77 = gfortran # C preprocessor and preprocessing flags - for explicit preprocessing, # if needed (see the compilation rules above) # preprocessing flags must include DFLAGS and IFLAGS CPP = cpp CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS) # compiler flags: C, F90, F77 # C flags must include DFLAGS and IFLAGS # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax CFLAGS = -O3 $(DFLAGS) $(IFLAGS) F90FLAGS = $(FFLAGS) -x f95-cpp-input $(FDFLAGS) $(IFLAGS) $(MODFLAGS) FFLAGS = -O3 -g However, the good news is that the calculation center has the Quantum Espresso already. So, I do not need to compile by myself now. Best regards, Yuanqing Wang ----------- Original Message ------------ Subject: Re: [Pw_forum] discrepancy in tests Date: Tue, 03 Mar 2015 18:45:03 +0900 From: ＷＡＮＧ ＹＵＡＮＱＩＮＧ <[email protected]> To: [email protected] Cc: Dear all, I have attached the output file. Hope you can help me with advice. Thanks! BTW, I compiled the newest version (5.1.2), and the same problem occurs. So, the problem comes from the lib bug?? Best, Yuanqing Wang -------- End of Original Message --------
lda U_force.out
Description: Binary data
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