 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 9 | 1/1 | 返回列表 |
| 查看: 1922 | 回復: 8 | ||
cmtang8351金蟲 (小有名氣)
|
[求助]
VASP 5.3安裝出現(xiàn)問題，求助
|
|
今天在安裝VASP5.3版本，到了最后make的時候，出現(xiàn)了以下的錯誤提示： pgf90 -Mfree -Mx,119,0x200000 -O2 -tp p6 -c base.f pgf90-Error--tp p6 not supported in this installation make: *** [base.o] Error 1 現(xiàn)在不知道如何解決了，請懂的專家給我?guī)椭叮f分感謝 |
回復此樓» 猜你喜歡
0856材料專碩353求調(diào)劑
已經(jīng)有4人回復
-
山東省面上項目限額評審
已經(jīng)有4人回復
-
一志愿北京化工大學070300 學碩336求調(diào)劑
已經(jīng)有5人回復
-
生物學071000 329分求調(diào)劑
已經(jīng)有4人回復
-
一志愿華中科技大學071000，求調(diào)劑
已經(jīng)有4人回復
-
生物學一志愿985，分數(shù)349求調(diào)劑
已經(jīng)有4人回復
-
生物學調(diào)劑
已經(jīng)有4人回復
-
求調(diào)劑院校信息
已經(jīng)有4人回復
-
085600材料與化工306
已經(jīng)有4人回復
-
286求調(diào)劑
已經(jīng)有10人回復
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- VASP5.2版本并行安裝時出問題了，已經(jīng)到最后一步了
已經(jīng)有28人回復
- 求助：Vasp安裝問題，持續(xù)二天未摸到頭緒，大蝦救命
已經(jīng)有12人回復
- 新手vasp安裝求助
已經(jīng)有11人回復
- 求助vasp編譯好后無法運行問題？？
已經(jīng)有24人回復
- vasp并行出錯，急于求助�。。�
已經(jīng)有13人回復
- 【求助】vasp報錯，WARNING in EDDRMM
已經(jīng)有13人回復
- 【求助】VASP收斂問題
已經(jīng)有15人回復
- 【求助】vasp安裝編譯錯誤，請大家?guī)兔聪履抢锍鲥e了。
已經(jīng)有6人回復
- 【求助】菜鳥問有關(guān)VASP作業(yè)提交的問題！
已經(jīng)有21人回復
- 【求助成功】vasp5.2并行安裝不上
已經(jīng)有18人回復
- 【求助】mpi vasp問題
已經(jīng)有32人回復
- 【求助】vasp并行安裝mpich2的錯誤
已經(jīng)有10人回復
- 【求助】關(guān)于VASP中Kpoint設(shè)置問題
已經(jīng)有6人回復
- 【求助】求vasp.4.6 安裝必備軟件
已經(jīng)有13人回復
- 【求助】vasp中關(guān)于電場單位的問題
已經(jīng)有12人回復
- 【求助】vasp運行問題
已經(jīng)有7人回復
- 【求助】vasp5.2異常退出的問題
已經(jīng)有16人回復
zphu_nku
新蟲 (初入文壇)
- 應助: 9 (幼兒園)
- 金幣: 48.4
- 帖子: 17
- 在線: 8.6小時
- 蟲號: 2558211
- 注冊: 2013-07-22
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
2樓2013-07-25 06:58:05
cmtang8351
金蟲 (小有名氣)
- 應助: 1 (幼兒園)
- 金幣: 1992.2
- 散金: 10
- 紅花: 1
- 帖子: 174
- 在線: 266.7小時
- 蟲號: 602079
- 注冊: 2008-09-14
- 專業(yè): 原子和分子物理
3樓2013-07-25 21:03:07
cmtang8351
金蟲 (小有名氣)
- 應助: 1 (幼兒園)
- 金幣: 1992.2
- 散金: 10
- 紅花: 1
- 帖子: 174
- 在線: 266.7小時
- 蟲號: 602079
- 注冊: 2008-09-14
- 專業(yè): 原子和分子物理
|
我打開makefile文件將-tp p6 刪除了，但是出現(xiàn)了以下的錯誤提示： pgf90 -Mfree -Mx,119,0x200000 -O2 -c base.f make: pgf90: Command not found make: *** [base.o] Error 127 現(xiàn)在應該怎么辦呢？ 我的makefile文件如下： .SUFFIXES: .inc .f .f90 .F #----------------------------------------------------------------------- # Makefile for Portland Group F90/HPF compiler release 3.0-1, 3.1 # and release 1.7 # (http://www.pgroup.com/ & ftp://ftp.pgroup.com/x86/, you need # to order the HPF/F90 suite) # we have found no noticable performance differences between # any of the releases, even Athlon or PIII optimisation does # not seem to improve performance # # The makefile was tested only under Linux on Intel platforms # (Suse X,X) # # 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 #----------------------------------------------------------------------- # # Mind that some Linux distributions (Suse 6.1) have a bug in # libm causing small errors in the error-function (total energy # is therefore wrong by about 1meV/atom). The recommended # solution is to update libc. # # Mind that some Linux distributions (Suse 6.1) have a bug in # libm causing small errors in the error-function (total energy # is therefore wrong by about 1meV/atom). The recommended # solution is to update libc. # # 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) most desirable: get an optimized BLAS # for a list of optimized BLAS try # http://www.kachinatech.com/~hjjou/scilib/opt_blas.html # # the two most reliable packages around are presently: # 3a) Intels own optimised BLAS (PIII, P4, Itanium) # http://developer.intel.com/software/products/mkl/ # this is really excellent when you use Intel CPU's # # 3b) or obtain the atlas based BLAS routines # http://math-atlas.sourceforge.net/ # you certainly need atlas on the Athlon, since the mkl # routines are not optimal on the Athlon. # #----------------------------------------------------------------------- # all CPP processed fortran files have the extension .f SUFFIX=.f #----------------------------------------------------------------------- # fortran compiler and linker #----------------------------------------------------------------------- FC=pgf90 # fortran linker FCL=$(FC) #----------------------------------------------------------------------- # whereis CPP ?? (I need CPP, can't use gcc with proper options) # that's the location of gcc for SUSE 5.3 # # CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C # # that's probably the right line for some Red Hat distribution: # # CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C # # SUSE 6.X, maybe some Red Hat distributions: CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX) #----------------------------------------------------------------------- # possible options for CPP: # possible options for CPP: # NGXhalf charge density reduced in X direction # wNGXhalf gamma point only reduced in X direction # avoidalloc avoid ALLOCATE if possible # IFC work around some IFC bugs # CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000 P4 # RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (usually faster) # RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (faster on P4) # **** definitely use -DRACCMU_DGEMV if you use the mkl library #----------------------------------------------------------------------- CPP = $(CPP_) -DHOST=\"LinuxPgi\" \ -DNGXhalf -DCACHE_SIZE=2000 -DPGF90 -Davoidalloc \ -DRPROMU_DGEMV #----------------------------------------------------------------------- # general fortran flags (there must a trailing blank on this line) # the -Mx,119,0x200000 is required if you use older pgf90 versions # on a more recent LINUX installation # the option will not do any harm on other 3.X pgf90 distributions #----------------------------------------------------------------------- FFLAGS = -Mfree -Mx,119,0x200000 #----------------------------------------------------------------------- # optimization, # we have tested whether higher optimisation improves # the performance, and found no improvements with -O3-5 or -fast # (even on Athlon system, Athlon specific optimistation worsens performance) #----------------------------------------------------------------------- OFLAG = -O2 OFLAG_HIGH = $(OFLAG) OBJ_HIGH = OBJ_NOOPT = DEBUG = -g -O0 INLINE = $(OFLAG) #----------------------------------------------------------------------- # the following lines specify the position of BLAS and LAPACK # what you chose is very system dependent # P4: VASP works fastest with Intels mkl performance library # Athlon: Atlas based BLAS are presently the fastest # P3: no clue #----------------------------------------------------------------------- # Atlas based libraries ATLASHOME= /home/mei/ct142/vasp/atlas/ BLAS= -L$(ATLASHOME) -lf77blas -latlas # use specific libraries (default library path points to other libraries) #BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a # use the mkl Intel libraries for p4 (www.intel.com) #BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread # LAPACK, simplest use vasp.5.lib/lapack_double #LAPACK= ../vasp.5.lib/lapack_double.o # use atlas optimized part of lapack LAPACK= ../vasp.5.lib/lapack_atlas.o -llapack -lcblas # 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 (none required) LINK = #----------------------------------------------------------------------- # fft libraries: # VASP.4.5 can use FFTW (http://www.fftw.org) # since the FFTW is very slow for radices 2^n the fft3dlib is used # in these cases # if you use fftw3d you need to insert -lfftw in the LIB line as well # please do not send us any querries reltated to FFTW (no support) # if it fails, use fft3dlib #----------------------------------------------------------------------- FFT3D = fft3dfurth.o fft3dlib.o #FFT3D = fftw3d+furth.o fft3dlib.o #======================================================================= # MPI section, uncomment the following lines # # one comment for users of mpich or lam: # You must *not* compile mpi with g77/f77, because f77/g77 # appends *two* underscores to symbols that contain already an # underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90 # compiler however appends only one underscore. # Precompiled mpi version will also not work !!! # # We found that mpich.1.2.1 and lam-6.5.X are stable # mpich.1.2.1 was configured with # ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \ # -f90="pgf90 -Mx,119,0x200000" \ # --without-romio --without-mpe -opt=-O \ # # lam was configured with the line # ./configure -prefix /usr/local/lam-6.5.X --with-cflags=-O -with-fc=pgf90 \ # --with-f77flags=-O --without-romio # # lam was generally faster and we found an average communication # band with of roughly 160 MBit/s (full duplex) # # please note that you might be able to use a lam or mpich version # compiled with f77/g77, but then you need to add the following # options: -Msecond_underscore (compilation) and -g77libs (linking) # # !!! Please do not send me any queries on how to install MPI, I will # certainly not answer them !!!! #======================================================================= #----------------------------------------------------------------------- # fortran linker for mpi: if you use LAM and compiled it with the options # suggested above, you can use the following lines #----------------------------------------------------------------------- #FC=mpif77 #FCL=$(FC) #----------------------------------------------------------------------- # additional options for CPP in parallel version (see also above): # NGZhalf charge density reduced in Z direction # wNGZhalf gamma point only reduced in Z direction # scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net) #----------------------------------------------------------------------- #CPP = $(CPP_) -DMPI -DHOST=\"LinuxPgi\" \ # -DNGZhalf -DCACHE_SIZE=2000 -DPGF90 -Davoidalloc -DRPROMU_DGEMV #----------------------------------------------------------------------- # location of SCALAPACK # if you do not use SCALAPACK simply uncomment the line SCA #----------------------------------------------------------------------- BLACS=/usr/local/BLACS_lam SCA_= /usr/local/SCALAPACK_lam SCA= $(SCA_)/scalapack_LINUX.a $(SCA_)/pblas_LINUX.a $(SCA_)/tools_LINUX.a \ $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a SCA= #----------------------------------------------------------------------- # libraries for mpi #----------------------------------------------------------------------- #LIB = -L../vasp.5.lib -ldmy \ # ../vasp.5.lib/linpack_double.o $(LAPACK) \ # $(SCA) $(BLAS) # FFT: only option fftmpi.o with fft3dlib of Juergen Furthmueller #FFT3D = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o #----------------------------------------------------------------------- # general rules and compile lines #----------------------------------------------------------------------- BASIC= symmetry.o symlib.o lattlib.o random.o SOURCE= base.o mpi.o smart_allocate.o xml.o \ constant.o jacobi.o main_mpi.o scala.o \ asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o \ radial.o pseudo.o gridq.o ebs.o \ mkpoints.o wave.o wave_mpi.o wave_high.o spinsym.o \ $(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \ mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o \ constrmag.o cl_shift.o relativistic.o LDApU.o \ paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o hyperfine.o paw.o \ mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o pot.o \ dos.o elf.o tet.o tetweight.o hamil_rot.o \ chain.o dyna.o k-proj.o sphpro.o us.o core_rel.o \ aedens.o wavpre.o wavpre_noio.o broyden.o \ dynbr.o hamil_high.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \ brent.o stufak.o fileio.o opergrid.o stepver.o \ chgloc.o fast_aug.o fock_multipole.o fock.o mkpoints_change.o sym_grad.o \ mymath.o internals.o npt_dynamics.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o \ nmr.o pead.o subrot.o subrot_scf.o \ force.o pwlhf.o gw_model.o optreal.o steep.o davidson.o david_inner.o \ electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o \ optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o \ hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o \ lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o \ linear_optics.o \ setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \ mlwf.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o \ local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o \ bse_te.o bse.o acfdt.o chi.o sydmat.o dmft.o \ rmm-diis_mlr.o linear_response_NMR.o wannier_interpol.o linear_response.o vasp: $(SOURCE) $(FFT3D) $(INC) main.o rm -f vasp $(FCL) -o vasp main.o $(SOURCE) $(FFT3D) $(LIB) $(LINK) makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC) $(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB) zgemmtest: zgemmtest.o base.o random.o $(INC) $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB) dgemmtest: dgemmtest.o base.o random.o $(INC) $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB) ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC) $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB) kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC) $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB) clean: -rm -f *.g *.f *.o *.L *.mod ; touch *.F main.o: main$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX) xcgrad.o: xcgrad$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX) xcspin.o: xcspin$(SUFFIX) $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX) makeparam.o: makeparam$(SUFFIX) $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX) makeparam$(SUFFIX): makeparam.F main.F # # MIND: I do not have a full dependency list for the include # and MODULES: here are only the minimal basic dependencies # if one strucuture is changed then touch_dep must be called # with the corresponding name of the structure # base.o: base.inc base.F mgrid.o: mgrid.inc mgrid.F constant.o: constant.inc constant.F lattice.o: lattice.inc lattice.F setex.o: setexm.inc setex.F pseudo.o: pseudo.inc pseudo.F mkpoints.o: mkpoints.inc mkpoints.F wave.o: wave.F nonl.o: nonl.inc nonl.F nonlr.o: nonlr.inc nonlr.F $(OBJ_HIGH): $(CPP) $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX) $(OBJ_NOOPT): $(CPP) $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX) fft3dlib_f77.o: fft3dlib_f77.F $(CPP) $(F77) $(FFLAGS_F77) -c $*$(SUFFIX) .F.o: $(CPP) $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) .F$(SUFFIX): $(CPP) $(SUFFIX).o: $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) |
4樓2013-07-25 21:10:43
hakuna
木蟲 (知名作家)
- 1ST強帖: 3
- 應助: 82 (初中生)
- 金幣: 8735.9
- 散金: 158
- 紅花: 126
- 帖子: 5599
- 在線: 1367.2小時
- 蟲號: 167622
- 注冊: 2006-01-15
- 專業(yè): 考古理論
5樓2013-07-26 06:14:16
6樓2013-07-27 08:52:48
cmtang8351
金蟲 (小有名氣)
- 應助: 1 (幼兒園)
- 金幣: 1992.2
- 散金: 10
- 紅花: 1
- 帖子: 174
- 在線: 266.7小時
- 蟲號: 602079
- 注冊: 2008-09-14
- 專業(yè): 原子和分子物理
|
非常感謝，現(xiàn)在向下走了一步，但是make之后，發(fā)現(xiàn)了以下的問題： pgf90 -Mfree -Mx,119,0x200000 -O2 -c pseudo.f Lowering Error: DATA repeat count ast not constant: 1932 PGF90-F-0000-Internal compiler error. Errors in Lowering 1 (pseudo.f: 241) PGF90/x86-64 Linux 7.0-7: compilation aborted 請問：現(xiàn)在應該怎么解決呢？謝謝 |
7樓2013-07-31 01:09:02
8樓2013-08-07 09:46:21
9樓2014-07-19 20:12:33
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 cmtang8351 的主題更新
| 9 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 311求調(diào)劑 +13 | 冬十三 2026-03-15 | 14/700 |
|
|---|---|---|---|---|
|
[考研] 0703化學調(diào)劑 ，六級已過，有科研經(jīng)歷 +14 | 曦熙兮 2026-03-15 | 14/700 |
|
|
|
[考研] 求助 +5 | 夢里的無言 2026-03-21 | 6/300 |
|
|
|
[考研] 求調(diào)劑 +3 | .m.. 2026-03-21 | 4/200 |
|
|
|
[考研] 材料工程（專）一志愿985 初試335求調(diào)劑 +3 | hiloiy 2026-03-17 | 4/200 |
|
|
|
[考研] 一志愿西南交大，求調(diào)劑 +5 | 材化逐夢人 2026-03-18 | 5/250 |
|
|
|
[考研] 295求調(diào)劑 +4 | 一志愿京區(qū)211 2026-03-18 | 6/300 |
|
|
|
[考研] 一志愿南昌大學，327分，材料與化工085600 +9 | Ncdx123456 2026-03-19 | 9/450 |
|
|
|
[考研] 287求調(diào)劑 +7 | 晨昏線與星海 2026-03-19 | 8/400 |
|
|
|
[考研] 中南大學化學學碩337求調(diào)劑 +3 | niko- 2026-03-19 | 6/300 |
|
|
|
[考研] 290求調(diào)劑 +7 | ^O^乜 2026-03-19 | 7/350 |
|
|
|
[考研] A區(qū)線材料學調(diào)劑 +5 | 周周無極 2026-03-20 | 5/250 |
|
|
|
[考研]
 295復試調(diào)劑
+8
|
簡木ChuFront 2026-03-19 | 8/400 |
|
|
|
[考研] 環(huán)境工程調(diào)劑 +9 | 大可digkids 2026-03-16 | 9/450 |
|
|
|
[考研] 085600材料與化工調(diào)劑 324分 +10 | llllkkkhh 2026-03-18 | 12/600 |
|
|
|
[考研] 0703化學336分求調(diào)劑 +6 | zbzihdhd 2026-03-15 | 7/350 |
|
|
|
[考博] 26博士申請 +3 | 1042136743 2026-03-17 | 3/150 |
|
|
|
[考研] 290求調(diào)劑 +3 | p asserby. 2026-03-15 | 4/200 |
|
|
|
[考研] 275求調(diào)劑 +4 | 太陽花天天開心 2026-03-16 | 4/200 |
|
|
|
[考研] 318求調(diào)劑 +3 | Yanyali 2026-03-15 | 3/150 |
|