[Pw_forum] Fw: Re: discrepancy in tests

[ＷＡＮＧ ＹＵＡＮＱＩＮＧ]

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 <yuanqing.wang at riken.jp>
To: pw_forum at pwscf.org
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 --------


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