To ensure food security on sustainable basis, reducing weeds interference and boosting land use efficiency are critical. A field study was conducted at research farm of University of Agriculture Faisalabad, Pakistan, to sort out the most productive maize-gram intercropping system under semi-arid environment. Treatments included sole maize in single row (60 cm apart) (T1) and double rows (90 cm apart) (T2) strips, sole black (T3) and green gram (T4) crops, six single rows (60 cm apart) of maize with twelve double rows (20 cm) of black (T5) and green gram (T6), three double rows (90 cm apart) of maize with three sets of quadratic rows (20 cm apart) of black (T7) and green gram (T8). The experiment was executed in regular arrangement of randomized complete block design with three replications. The results revealed that T1 produced the highest grain yield (6.97 t ha−1) of maize and significantly lower weeds infestation compared to wider row spacing (T2). Among intercropping systems, T8 significantly decreased weeds density (16.33 plants m−2) and their fresh (20.93 g m−2) and dry weights (5.63 g m−2), while the maximum land use efficiency as indicated by unmatched land equivalent ratio and intercropping advantage were recorded by T7 and T8. Interestingly, green gram in intercropping recorded over 58% higher productivity than black gram. We conclude that maize-green gram intercropping hold potential to impart sustainability to maize production by reducing weeds infestation (431% lower than sole maize) and could be a viable option for smallholder farmers in semi-arid environment.