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牛奶汤

新虫 (初入文坛)

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20楼: Originally posted by 浔荆 at 2014-05-14 10:59:03
同是天涯沦落人...

。我碰到的是你后面那个syntax error。虽然上面有位大牛说了是注释的问题,但我没找到相应的注释。在VASP的论坛上有位大哥也碰到同样问题,他说在FLAG上加-fpp就解决了。可是我试了也没成功。我的makefile如下:
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler for Pentium/Athlon/Opteron
# bases systems
# we recommend this makefile for both Intel as well as AMD systems
# for AMD based systems appropriate BLAS and fftw libraries are
# however mandatory (whereas they are optional for Intel platforms)
#
# The makefile was tested only under Linux on Intel and AMD platforms
# the following compiler versions have been tested:
#  - ifc.7.1  works stable somewhat slow but reliably
#  - ifc.8.1  fails to compile the code properly
#  - ifc.9.1  recommended (both for 32 and 64 bit)
#  - ifc.10.1 partially recommended (both for 32 and 64 bit)
#             tested build 20080312 Package ID: l_fc_p_10.1.015
#             the gamma only mpi version can not be compiles
#             using ifc.10.1
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL*** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
#   retrieve the lapackage from ftp.netlib.org
#   and compile the blas routines (BLAS/SRC directory)
#   please use g77 or f77 for the compilation. When I tried to
#   use pgf77 or pgf90 for BLAS, VASP hang up when calling
#   ZHEEV  (however this was with lapack 1.1 now I use lapack 2.0)
# 2) more desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 2a) Intels own optimised BLAS (PIII, P4, PD, PC2, Itanium)
#     http://developer.intel.com/software/products/mkl/
#   this is really excellent, if you use Intel CPU's
#
# 2b) probably fastest SSE2 (4 GFlops on P4, 2.53 GHz, 16 GFlops PD,
#     around 30 GFlops on Quad core)
#   Kazushige Goto's BLAS
#   http://www.cs.utexas.edu/users/kgoto/signup_first.html
#   http://www.tacc.utexas.edu/resources/software/
#
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f90
SUFFIX=.f90

#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)


#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
#  CPP_   =  /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
#  CPP_   =  /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
#  SUSE X.X, maybe some Red Hat distributions:

CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf             charge density   reduced in X direction
# wNGXhalf            gamma point only reduced in X direction
# avoidalloc          avoid ALLOCATE if possible
# PGF90               work around some for some PGF90 / IFC bugs
# CACHE_SIZE          1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4, PD
# RPROMU_DGEMV        use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV        use DGEMV instead of DGEMM in RACC (depends on used BLAS)
# tbdyn                 MD package of Tomas  Bucko
#-----------------------------------------------------------------------

CPP     = $(CPP_)  -DHOST=\"LinuxIFC\" \
          -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \
#          -DRPROMU_DGEMV  -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# general fortran flags  (there must a trailing blank on this line)
# byterecl is strictly required for ifc, since otherwise
# the WAVECAR file becomes huge
#-----------------------------------------------------------------------

FFLAGS =  -FR -lowercase -assume byterecl

#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK  SSE1 optimization,  but also generate code executable on all mach.
#       xK improves performance somewhat on XP, and a is required in order
#       to run the code on older Athlons as well
# -xW   SSE2 optimization
# -axW  SSE2 optimization,  but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------

# ifc.9.1, ifc.10.1 recommended
OFLAG=-O2 -ip -ftz

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG  = -FR -O0
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
# the following lines specify the position of BLAS  and LAPACK
# VASP works fastest with the libgoto library
# so that's what we recommend
#-----------------------------------------------------------------------

# mkl.10.0
# set -DRPROMU_DGEMV  -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl100/lib/em64t -lmkl -lpthread

# even faster for VASP Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
# parallel goto version requires sometimes -libverbs
# BLAS=  /opt/libs/libgoto/libgoto.so
BLAS= /opt/software/goto2/libgoto.so
# LAPACK, simplest use vasp.5.lib/lapack_double
LAPACK= ../vasp.5.lib/lapack_double.o

# use the mkl Intel lapack
#LAPACK= -lmkl_lapack

#-----------------------------------------------------------------------

LIB  = -L../vasp.5.lib -ldmy \
     ../vasp.5.lib/linpack_double.o $(LAPACK) \
     $(BLAS)

# options for linking, nothing is required (usually)
LINK    =

#-----------------------------------------------------------------------
# fft libraries:
# VASP.5.2 can use fftw.3.1.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------
# FFT3D   = fft3dfurth.o fft3dlib.o

# alternatively: fftw.3.1.X is slighly faster and should be used if available
FFT3D   = fftw3d.o fft3dlib.o   /opt/software/fftw333-double/lib/libfftw3.a
21楼2014-05-14 14:41:27
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浔荆

木虫 (正式写手)

引用回帖:
21楼: Originally posted by 牛奶汤 at 2014-05-14 14:41:27
。我碰到的是你后面那个syntax error。虽然上面有位大牛说了是注释的问题,但我没找到相应的注释。在VASP的论坛上有位大哥也碰到同样问题,他说在FLAG上加-fpp就解决了。可是我试了也没成功。我的makefile如 ...

他说的注释就是斜杠号加星号之前的内容:/*...*/
这个注释不知道是哪个语言里的语法,打开VASP解压目录下的base.f90就可以看到开头有一堆这样的注释。这样的注释在fortran里面显然是不合语法的,但是我试着删除这些注释,编译的时候它会自动添加回去。
顺便问问你提到的VASP论坛里那个帖子的链接是多少呢,我也参考参考。
22楼2014-05-14 14:58:50
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浔荆

木虫 (正式写手)

引用回帖:
21楼: Originally posted by 牛奶汤 at 2014-05-14 14:41:27
。我碰到的是你后面那个syntax error。虽然上面有位大牛说了是注释的问题,但我没找到相应的注释。在VASP的论坛上有位大哥也碰到同样问题,他说在FLAG上加-fpp就解决了。可是我试了也没成功。我的makefile如 ...

您好,我搜到了你说的那个帖子,不过你之前尝试加-fpp是加在哪个位置呢?
23楼2014-05-14 16:57:35
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牛奶汤

新虫 (初入文坛)

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23楼: Originally posted by 浔荆 at 2014-05-14 16:57:35
您好,我搜到了你说的那个帖子,不过你之前尝试加-fpp是加在哪个位置呢?...

从他的makefile来看,他在FFLAGS =  -FR -lowercase -assume byterecl中加了-fpp。
24楼2014-05-15 16:49:11
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牛奶汤

新虫 (初入文坛)

引用回帖:
23楼: Originally posted by 浔荆 at 2014-05-14 16:57:35
您好,我搜到了你说的那个帖子,不过你之前尝试加-fpp是加在哪个位置呢?...

我搜索了下他makefile中所有-fpp,发现他还在makefile最后一部分也加了。现在能正常编译下去了。

» 本帖已获得的红花(最新10朵)

25楼2014-05-15 17:15:54
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dingniu2

木虫 (正式写手)

送红花一朵
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25楼: Originally posted by 牛奶汤 at 2014-05-15 17:15:54
我搜索了下他makefile中所有-fpp,发现他还在makefile最后一部分也加了。现在能正常编译下去了。...

遇到同样问题,请问FFLAGS =  -FR -lowercase -assume byterecl改为FFLAGS =  -FR -lowercase -assume byterecl -fpp吗?
makefile最后一部分也加-fpp是在哪里加?
谢谢。
健康最重要
26楼2015-01-30 12:05:15
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lhllqy

新虫 (初入文坛)

我也遇到同样的问题, 楼主解决了么
27楼2016-09-19 22:11:07
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