Re: [Wien] Some error messages during Installation of WIEN2k_14.2 on CentOS6.5

2015-11-04 Thread Laurence Marks
e for WIEN2k. Then 32*1=32, NUME=NMATMAX/10=32000. > > Is this wrong? Then, where to change this value? > > Best, > WT > > -- > Date: Mon, 2 Nov 2015 09:01:41 -0600 > From: l-ma...@northwestern.edu > To: wien@zeus.theochem.tuwien.ac.at

Re: [Wien] Some error messages during Installation of WIEN2k_14.2 on CentOS6.5

2015-11-04 Thread Peter Blaha
bject: Re: [Wien] Some error messages during Installation of WIEN2k_14.2 on CentOS6.5 I am 99.9% certain that none of these is an error. The compile script will tell you if there are any at the end, these are flagged with "Error". N.B., the values set value for NMATMAX=32 set valu

Re: [Wien] Some error messages during Installation of WIEN2k_14.2 on CentOS6.5

2015-11-02 Thread Laurence Marks
I am 99.9% certain that none of these is an error. The compile script will tell you if there are any at the end, these are flagged with "Error". N.B., the values set value for NMATMAX=32 set value for NUME=32000 are large, you could run into problems with these if you are running k-point

[Wien] Some error messages during Installation of WIEN2k_14.2 on CentOS6.5

2015-11-02 Thread tongwei
Dear Everyone, During installing WIEN2k_14.2, I watched the screen and saw a few errors in the following. I am not sure it is OK or not. ---after save compiler options--- No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory. No Makefile.orig in SRC_BerryPI,