[Smeagol-discuss] the problem of smeagol installation.

[caqhero]

Dear Jimmy,
thank you for your suggestion. I want to ask whether MPICH package can affect compiling of the siesta.F file. the compiler I used is gfortran, and the siesta package is siesta.1.3p.the detail of the errors are as follows:
[ms at localhost ~]$ cd ./smeagol.1.0b/Src
[ms at localhost Src]$ make
Compilation architecture to be used: mpif90
If this is not what you want, create the right
arch.make file using the models in Sys
Hit ^C to abort...
==> Information about compiler and flags
sed  "s/SIESTA_ARCH/mpif90/g" version.F > temp0.F
sed  "s/FFLAGS/ /g" temp0.F > temp.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2   -DMPI temp.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI siesta.F
 In file siesta.F:736
            write(6,'(a47)') 'smeagol: The size of the cell is being exp
                            1
Error: Unterminated character constant beginning at (1)
 In file siesta.F:737
            write(6,'(a46)') 'smeagol:  along the perpendicular directio
                            1
Error: Unterminated character constant beginning at (1)
make: *** [siesta.o] Error 1
[ms at localhost Src]$
 
my arch.make file is as follows:
SIESTA_ARCH=mpif90
#
FC=/usr/MPICH-install/bin/mpif90
FC_ASIS=$(FC)
FFLAGS=  -mieee-fp -OPT:Ofast -O2 
LDFLAGS= -mieee-fp -zerouv -OPT:Ofast -O2 
COMP_LIBS=
TRANSPORTFLAGS= -mieee-fp -zerouv -OPT:Ofast -O2 -c 
SOURCE_DIR=/home/smeagol.1.0b
EXEC = smeagol
#NETCDF_LIBS=/usr/local/netcdf-3.5/lib/pgi/libnetcdf.a
#NETCDF_INTERFACE=libnetcdf_f90.a
#DEFS_CDF=-DCDF
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/usr/MPICH-install/include
DEFS_MPI=-DMPI
BLACS=/home/ms/BLACS/LIB/blacsCinit_MPI-LINUX-0.a /home/ms/BLACS/LIB/blacsF77init_MPI-LINUX-0.a /home/ms/BLACS/LIB/blacs_MPI-LINUX-0.a
SCALAPACK=/home/ms/scalapack-1.8.0/libscalapack.a
LAPACK=/opt/intel/mkl/10.2.1.017/lib/64/libmkl_lapack95_ilp64.a /opt/intel/mkl/10.2.1.017/lib/64/libmkl_lapack95_lp64.a
BLAS=/opt/intel/mkl/10.2.1.017/lib/64/libmkl_blas95_ilp64.a /opt/intel/mkl/10.2.1.017/lib/64/libmkl_blas95_lp64.a
LIBS= -lpthread  /opt/intel/mkl/10.2.1.017/lib/64/libmkl_intel_ilp64.a /opt/intel/mkl/10.2.1.017/lib/64/libmkl_intel_lp64.a -llapack $(LAPACK) $(BLAS) $(BLACS) $(SCALAPACK) $(LIBS)

RANLIB=echo
SYS=bsd
DEFS= $(DEFS_CDF) $(DEFS_MPI)
#
.F.o:
 $(FC) -c $(FFLAGS)  $(DEFS) $<
.f.o:
 $(FC) -c $(FFLAGS)   $<
.F90.o:
 $(FC) -c $(FFLAGS)  $(DEFS) $<
.f90.o:
 $(FC) -c $(FFLAGS)   $<
       
#
pleas heplp me ! thank you!
 
AQing Chen
the school of physics & telecommunication engineering
south china normal university 
email:caqhero at 126.com





在2009-08-14?17:21:03，"Jimmy?Tang"?<jtang at tchpc.tcd.ie>?写道：
>On?Tue,?Aug?11,?2009?at?01:31:26PM?+0800,?caqhero?wrote:
>>????Hi,everybody.
>>????recently,?I?got?the?smeagol?package.?However,?when?I?install?it,?there?are
>>????some?errors.?these?errors?are?as?follow:
>>????first,?when?I?make?the?arch.make?file.there?is?an?error:?-zerouv??and
>>????-OPT:Ofast?which?can?no?be?recognised?by?f95.the?make?file?can?run?after
>>????deleting?above?signs.?but?another?error?come?out?when?compile?the?siesta.F
>>????file.?the?errors?occur?at?the?line?736?and?737.
>
>-zerouv?and?-OPT:Ofast?are?compiler?optimisation?flags,?you?can?probably
>drop?them?and?replace?them?with?the?correct?flags?for?your?compiler
>(please?refer?to?your?compiler?manual)
>
>>????I?enclose?my?siesta.F?file,?and?hope?that?someone?can?check?it?for
>>????me.?thanks?very?much!the?follow?soft?package?I?have?installed?:
>>????the?compiler?is?gfortran,?MPICH?package?is?MPICH-2.0.?and?siesta?is
>>????siesta.1.3p.
>
>MPICH?2.0?(MPI?2.0)?in?general?doesn't?play?well?with?smeagol,?please
>try?MPICH?1.2.x?with?smeagol.
>
>
>Regards,
>Jimmy
>
>--?
>Jimmy?Tang
>Trinity?Centre?for?High?Performance?Computing,
>Lloyd?Building,?Trinity?College?Dublin,?Dublin?2,?Ireland.
>http://www.tchpc.tcd.ie/?|?http://www.tchpc.tcd.ie/~jtang
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