From owner-nwchem-users@emsl.pnl.gov Mon Oct 8 09:43:45 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id l98GhiXV019054 for ; Mon, 8 Oct 2007 09:43:45 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id l98GhiLE019053 for nwchem-users-outgoing-0915; Mon, 8 Oct 2007 09:43:44 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: E=Sophos;i="4.21,243,1188802800"; d="scan'208";a="34166778" Message-ID: <470A5E3D.3020204@pnl.gov> Date: Mon, 08 Oct 2007 09:43:41 -0700 From: Dunyou Wang User-Agent: Thunderbird 2.0.0.6 (X11/20070728) MIME-Version: 1.0 To: Gerardo Cisneros CC: Jeff Hammond , Ken Taylor , NWChem Users Subject: Re: [NWCHEM] geom_binvr: dsyev failed? References: In-Reply-To: Content-Type: multipart/mixed; boundary="------------000505040303030200030104" X-OriginalArrivalTime: 08 Oct 2007 16:43:41.0760 (UTC) FILETIME=[62515400:01C809CA] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. --------------000505040303030200030104 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Here is the fix: please replace the GNUmakefile under your $NWCHEM_TOP/src/blas with the attached one. ---Dunyou Gerardo Cisneros wrote: > Dunyou, > > You wrote: > >> If you are using a newer version of GA >> > > Well, yes, because a newer GA is needed to run over OpenIB. > > >> (added single complex function) >> other than the one coming with 5.0, you'll see this cgemm problem. We'll >> fix this in the new release version. >> > > Oops. Thanks for the heads-up. No quick fix at this time? > > Saludos, > > Gerardo > --------------000505040303030200030104 Content-Type: text/plain; name="GNUmakefile" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="GNUmakefile" #$Id: GNUmakefile,v 1.40 2007/05/23 16:43:50 d3p307 Exp $ ifdef USE_64TO32 USE_I4FLAGS=y endif include ../config/makefile.h LIBRARY = libblas.a # # USE both double and single now (short term solution for added single precision # data in GA). Still keep the original layout, in case later need to be changed # again. VPATH = double single # PRECISION = double single # #ifeq ($(TARGET),KSR) # PRECISION = single #endif #ifeq ($(TARGET),CRAY-T3D) # PRECISION = single #endif #ifeq ($(TARGET),CRAY-T3E) # PRECISION = single #endif # # #ifndef PRECISION #error: # @echo BLAS makefile does not have PRECISION defined # @exit 1 #endif # # Use full vectorization compiler options # ifdef FVECTORIZE FOPTIMIZE := $(FVECTORIZE) endif # xerbla and lsame are taken out from single #ifeq ($(PRECISION),double) ####################################################################### # ######## ######## ######## ######## OBJ_OPTIMIZE = dasum.o daxpy.o dcopy.o ddot.o \ dgemm.o dgemv.o dger.o dnrm2.o \ drot.o dscal.o dspmv.o dspr.o \ dswap.o dsymm.o dsymv.o dsyr2.o \ dsyr2k.o dsyrk.o dtrmm.o dtrmv.o \ dtrsm.o dtrsv.o dznrm2.o idamax.o \ izamax.o \ lsame.o zaxpy.o dcabs1.o zcopy.o \ zdotc.o zdscal.o zgemm.o zgemv.o \ zgerc.o zhemm.o zhemv.o zher2.o \ zher2k.o zherk.o zscal.o zswap.o \ ztrmm.o ztrmv.o ztrsm.o ztrsv.o \ xerbla.o zgeru.o dzasum.o dsyr.o #else ####################################################################### # ######## ######## ######## ######## OBJ_OPTIMIZE +=sasum.o saxpy.o scopy.o sdot.o \ sgemm.o sgemv.o sger.o snrm2.o \ srot.o sscal.o sspmv.o sspr.o \ sswap.o ssymm.o ssymv.o ssyr2.o \ ssyr2k.o ssyrk.o strmm.o strmv.o \ strsm.o strsv.o scnrm2.o isamax.o \ caxpy.o ccopy.o \ cdotc.o csscal.o cgemm.o cgemv.o \ cgerc.o chemm.o chemv.o cher2.o \ cher2k.o cherk.o cscal.o cswap.o \ ctrmm.o ctrmv.o ctrsm.o ctrsv.o \ cgeru.o scasum.o #endif ifeq ($(TARGET),CRAY-T3D) OBJ_OPTIMIZE = idamax.o endif ifeq ($(TARGET),CRAY-T3E) OBJ_OPTIMIZE = idamax.o endif ifeq ($(TARGET),MACX) ifdef USE_VECLIB OBJ_OPTIMIZE = lsame.o endif endif ifeq ($(TARGET),IBM) ifdef USE_ESSL OBJ_OPTIMIZE = lsame.o xerbla.o izamax.o dcabs1.o endif endif ifeq ($(TARGET),IBM64) ifdef USE_INTEGER4 ifdef USE_ESSL OBJ_OPTIMIZE = lsame.o xerbla.o izamax.o dcabs1.o endif endif endif ifeq ($(TARGET),SP) ifdef USE_ESSL OBJ_OPTIMIZE = lsame.o xerbla.o izamax.o dcabs1.o endif endif ifeq ($(TARGET),LAPI) ifdef USE_ESSL OBJ_OPTIMIZE = lsame.o xerbla.o dcabs1.o izamax.o endif endif #caching for dgemm ifeq ($(TARGET),LINUX64) ifeq ($(_CPU),x86_64) LIB_DEFINES += -DCACHE1M endif ifeq ($(_CPU),ia64) LIB_DEFINES += -DCACHE6M endif endif include ../config/makelib.h --------------000505040303030200030104--