[CPMD-list] compiling CPMD with Intel ifort 9.1
marc at bilbo.edu.uy
marc at bilbo.edu.uy
Thu Jul 27 23:35:01 CEST 2006
We have tried to compile CPMD 3.11 with intel fortran compiler 9.1, and
always failed, wether we used Atlas or MKL.
Code seems to compile correctly, but we get hunreds of undefined
references like this:
IPO Error: unresolved : cblas_zscal
Referenced in liblapack.a(ATL_zgetrfC.o)
Referenced in liblapack.a(ATL_zgetrfR.o)
IPO Error: unresolved : cblas_dsyrk
Referenced in liblapack.a(ATL_dpotrfU.o)
Referenced in liblapack.a(ATL_dpotrfL.o)
IPO Error: unresolved : cblas_zherk
Referenced in liblapack.a(ATL_zpotrfU.o)
Referenced in liblapack.a(ATL_zpotrfL.o)
Referenced in liblapack.a(ATL_zpotrfRU.o)
Referenced in liblapack.a(ATL_zpotrfRL.o)
IPO Error: unresolved : cblas_zswap
Referenced in liblapack.a(ATL_zgetriR.o)
Referenced in liblapack.a(ATL_zgetriC.o)
util.o(.text+0x8f6): In function `dspevy_':
./util.f: undefined reference to `dspev_'
util.o(.text+0x93d):./util.f: undefined reference to `dspev_'
util.o(.text+0x976):./util.f: undefined reference to `dspev_'
util.o(.text+0x9b2):./util.f: undefined reference to `dspev_'
atomwf.o(.text+0x1aa9): In function `dsygvx_.':
./atomwf.f: undefined reference to `dsygv_'
atomwf.o(.text+0x1ced): In function `zsygvx_.':
./atomwf.f: undefined reference to `zhegv_'
jacobi.o(.text+0x66): In function `jacobi_':
./jacobi.f: undefined reference to `dsyev_'
jacobi.o(.text+0x9c):./jacobi.f: undefined reference to `dsyev_'
jacobi_c.o(.text+0x6e): In function `jacobi_c_':
./jacobi_c.f: undefined reference to `zheev_'
disortho.o(.text+0x6b9): In function `disortho_':
./disortho.f: undefined reference to `dtrtrs_'
disortho.o(.text+0x887):./disortho.f: undefined reference to `dtrtrs_'
linalg.o(.text+0x43d): In function `cholesky_':
./linalg.f: undefined reference to `dtrtrs_'
linalg.o(.text+0x594):./linalg.f: undefined reference to `dtrtrs_'
odiis.o(.text+0x12ce): In function `solve_.':
./odiis.f: undefined reference to `dgelss_'
k_forces.o(.text+0x2888): In function `ev_ksener_.':
./k_forces.f: undefined reference to `dsyev_'
k_forces.o(.text+0x30d6): In function `k_ksener_.':
./k_forces.f: undefined reference to `zheev_'
We installed and tested ATLAS and MKL and seem to work OK. The same
happens if we try to complie CPMD 3.7.
Part of the Makefile is:
#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: IFORT-P4
# Creation of Makefile: Jul 27 2006
# on Linux meriadoc 2.6.11.4-21.12-default #1 Wed May 10 09:38:20 UTC 2006
i686 i686 i386 GNU/Linux
# Author: root
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for IFORT-P4 ---------------
SRC = .
DEST = .
BIN = .
FFLAGS = -c -r8 -w95 -O2 -pc64 -tpp7 -unroll -cm -tune pn4 -arch pn4
LFLAGS = -L. -L/usr/local/ATLAS/intel/lib -I/usr/local/ATLAS/intel/include
-latlas -Vaxlib -lcblas -lf77blas -llapack -
ltstatlas
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 = ifort
LD = ifort -i-static
AR = ar
--------------- cut --------------------
The processor is a Pentium IV.
If anyone has compiled CPMD using intel fortran 9.1, and can direct us, we
would be very grateful.
best regards
Marc
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