From 03917a0d589958fd5ae83fa48d4f02cc364f31b9 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 25 Feb 2016 05:34:18 +0100 Subject: [PATCH] some corrections to previous commit from nostromo now compiles on piasek4 with ifort --- source/wham/src/DIMENSIONS.FREE | 4 ++-- source/wham/src/energy_p_new.F | 2 +- source/wham/src/molread_zs.F | 4 ++++ 3 files changed, 7 insertions(+), 3 deletions(-) diff --git a/source/wham/src/DIMENSIONS.FREE b/source/wham/src/DIMENSIONS.FREE index 85a618f..e69c722 100644 --- a/source/wham/src/DIMENSIONS.FREE +++ b/source/wham/src/DIMENSIONS.FREE @@ -2,9 +2,9 @@ integer MaxQ,MaxQ1 integer MaxR,MaxT_h integer MaxSlice - parameter (Max_Parm=32) + parameter (Max_Parm=16) parameter (MaxQ=4,MaxQ1=MaxQ+2) - parameter(MaxR=32,MaxT_h=32) + parameter(MaxR=16,MaxT_h=32) parameter(MaxSlice=40) integer MaxN parameter (MaxN=100) diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index a954783..e1fcea1 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -5605,7 +5605,7 @@ C The system gains extra energy. #ifdef DEBUG write (iout,*) "ecorr",i,j,i+1,j1, & ehbcorr(i,j,i+1,j1,jj,kk,0.72D0,0.32D0) -#undef DEBUG +#endif n_corr=n_corr+1 else if (j1.eq.j) then C Contacts I-J and I-(J+1) occur simultaneously. diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F index 34b3210..a98f47c 100644 --- a/source/wham/src/molread_zs.F +++ b/source/wham/src/molread_zs.F @@ -862,7 +862,11 @@ cd write(iout,*) "waga_theta",waga_theta,"waga_d",waga_d & 1.0d0/dsqrt(sigma_d(ki,i)),ki=1,constr_homology) enddo endif +#ifdef AIX call flush_(iout) +#else + call flush(iout) +#endif c ----------------------------------------------------------------- return end -- 1.7.9.5