<BODY><P>Dear Sir ,</P>
<P>I have changed the Makefile file according to the format sent by you. But still when I am going to run CPMD with the command cpmd.x , I am getting the message " No command found".</P>
<P>Please help me and give some tips how to start with CPMD.</P>
<P>With best regards,</P>
<P>Apu<BR><BR>**************************************************** <BR>Apu Sarkar <BR>Research Fellow <BR>Variable Energy Cyclotron Centre <BR>Kolkata 700 064 <BR>phone: 91-33-2337-1230 (extn. 3190) <BR>Fax: 91-33-2334-6871 <BR>INDIA <BR>****************************************************<BR><BR></P>
<P></P><B>----- Original Message -----</B>
<P></P><B>From</B>: "Dr. Balasubramanian Sundaram" <bala@jncasr.ac.in>
<P></P><B>Date</B>: Monday, July 12, 2004 11:24 am
<P></P><B>Subject</B>: Re: [CPMD-list] CPMD-3.7.2 hurdle
<P></P>
<P></P>> Hi Apu, <BR>> Here is a Makefile (serial version) that works fine on our Compaq <BR>> (DEC Alpha) <BR>> (HP now). Is your machine an Alpha or the Compaq SC80? I have a <BR>> suspicion <BR>> that it could be the former. Anyway, here is our config: <BR>> <BR>> Machine : Compaq Alpha ES40. <BR>> Operating System : OSF1 V5.1 <BR>> Compiler : Compaq Fortran V5.4A-1472 <BR>> Library : DXML v3.4 <BR>> <BR>> ---------------Makefile for cpmd v. 3.7.2 <BR>> ------------------------------- <BR>> SRC = . <BR>> DEST = . <BR>> BIN = . <BR>> #QMMM_FLAGS = -D__QMECHCOUPL <BR>> #QMMM_LIBS = -L. -lmm <BR>> FFLAGS = -align dcommons -convert big_endian <BR>> LFLAGS = -ldxml $(QMMM_LIBS) <BR>> CFLAGS = -D__alpha <BR>> CPP = cpp -P <BR>> CPPFLAGS = -C -D__alpha -DPOINTER8 -D__DERF -DLAPACK -DFFT_DEFAULT <BR>> <BR>> NOOPT_FLAG = <BR>> CC = cc -c -O <BR>> FC = f90 -O -c <BR>> LD = f90 -O <BR>
> AR = /usr/bin/ar -r <BR>> ------------------------------------------------------------------- <BR>> -------- <BR>> <BR>> 1) By the way, it may be a good idea to move to CPMD v.3.9.1, <BR>> unless you <BR>> have a <BR>> requirement to stick to v.3.7.2. <BR>> <BR>> 2) In case of compilation issues, it may be a good idea to send the <BR>> first few lines <BR>> of your Makefile also. <BR>> <BR>> Best Wishes, <BR>> Bala <BR>> http://www.jncasr.ac.in/bala <BR>> <BR>> <BR>> <BR>> <BR>> <BR>> <BR>> <BR>> apu@veccal.ernet.in wrote: <BR>> > <BR>> > <BR>> > <BR>> > Dear All, <BR>> > <BR>> > I am trying to configure CPMD-3.7.2 in a COMPAQ unix platform.After <BR>> > using the following path: <BR>> > <BR>> > ./Configure <BR>> > ./Configure COMPAQ-SC80> Makefile <BR>> > vi Makefile <BR>> > make <BR>
> > I am getting comment at the end: <BR>> > <BR>> > ld: <BR>> > <BR>> > Can't locate file for: <BR>> > -lelan <BR>> > <BR>> > f90:Severe:Failed while <BR>> > trying to Link. <BR>> > <BR>> > *** Exit 1 <BR>> > <BR>> > Stop. <BR>> > <BR>> > <BR>> > <BR>> > Please suggest what I should do now. <BR>> > <BR>> > Thank in advance. <BR>> > <BR>> > Regards, <BR>> > <BR>> > Apu <BR>> > <BR>> > <BR>> > <BR>> > **************************************************** <BR>> > Apu Sarkar <BR>> > Research Fellow <BR>> > Variable Energy Cyclotron Centre <BR>> > Kolkata 700 064 <BR>> > phone: 91-33-2337-1230 (extn. 3190) <BR>> > Fax: 91-33-2334-6871 <BR>> > INDIA <BR>> > **************************************************** <BR>> > <BR>
> > ------------------------------------------------------------- <BR>> -- <BR>> > _______________________________________________ <BR>> > CPMD-list mailing list <BR>> > CPMD-list@cpmd.org <BR>> > http://cpmd.org/mailman/listinfo/cpmd-list <BR>> <BR>> </BODY>