[CPMD-list] Problem with compiling cpmd2tube.

[Yi Liu]

Dear CPMDers,

I encountered errors when compiling cpmd2tube in Linux/AMD computer (with
IFC compiler). I used the following Makefile (the head of file is same as
that for compiling CPMD code),

## Linux PC/ IFC Compiler (master)
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -c -r8 -w90 -w95 -O3 -pc64 -axM -ip -tpp7
LFLAGS = /usr/local/lib/lapack_intel.a /usr/local/lib/blas_intel.a -Vaxlib
$(QMMM_LIBS)
#LFLAGS = -llapack-ifc -lf77blas-ifc -latlas-ifc -Vaxlib $(QMMM_LIBS)
CFLAGS = -c -O2 -Wall
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
NOOPT_FLAG =
CC = gcc
FC =/usr/local/intel/compiler60/ia32/bin/ifc
#FC = ifc
LD =/usr/local/intel/compiler60/ia32/bin/ifc
#LD = ifc
AR =
......

The compiling process stopped in "cpmd2cube.F90" as follows,

......
/usr/local/intel/compiler60/ia32/bin/ifc -c -c -r8 -w90 -w95 -O3 -pc64 -axM 
-ip -tpp7 cpmd2cube.F90
   module CPMD2CUBE
     module subroutine CPMD2CUBE_PRINT
     module subroutine INIT
     module subroutine DO_GEOM
     module subroutine DO_DENS
     module subroutine SHIFTFAC
     module subroutine GET_SUFFIX
     module subroutine CHECKNAMES
     module subroutine PBC_SETUP
     module subroutine MAT3V
     module subroutine PBC
     module subroutine ARGS
     module subroutine WRITE_HELP
        fname_pdb = TRIM ( fname_in ) // '.pdb'
                    ^
Warning 141 at (134:cpmd2cube.F90) : Character string truncated to length
128 on assignment
        fname_pdb = TRIM ( fname_out_basis ) // TRIM ( sf ) // '.pdb'
                    ^
Warning 141 at (136:cpmd2cube.F90) : Character string truncated to length
128 on assignment
        fname_cube = TRIM ( fname_in ) // '.cube'
                     ^
Warning 141 at (206:cpmd2cube.F90) : Character string truncated to length
128 on assignment
        fname_cube = TRIM ( fname_out_basis ) // TRIM ( filesuff ) //
'.cube'
                     ^
Warning 141 at (208:cpmd2cube.F90) : Character string truncated to length
128 on assignment
        fname_Bader = TRIM ( fname_in ) // '.flux'
                      ^
Warning 141 at (226:cpmd2cube.F90) : Character string truncated to length
128 on assignment
        fname_Bader = TRIM ( fname_out_basis ) // TRIM ( filesuff ) //
'.flux'
                      ^
Warning 141 at (228:cpmd2cube.F90) : Character string truncated to length
128 on assignment
    cfft = ( 0.0_dbl, 0.0_dbl )
                          ^
Error 169 at (395:cpmd2cube.F90) : This is not the name of an integer
PARAMETER
                          ^
Error 17 at (395:cpmd2cube.F90) : invalid kind parameter

2 Errors
compilation aborted for cpmd2cube.F90 (code 1)
make: *** [cpmd2cube.o] Error 1
-------------------------------

Any comments or solution on this problem will be appreciated very much.

Yi